K279-1367 Screening compound: 2-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(4-METHOXYBENZYL)ACETAMIDE

K279-1367 Screening compound: 2-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(4-METHOXYBENZYL)ACETAMIDE
K279-1367 Screening compound: 2-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(4-METHOXYBENZYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-1367
2-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(4-METHOXYBENZYL)ACETAMIDE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K279-1367

Molecular Formula

C30H30N6O6S2 (C30 H30 N6 O6 S2)

Compound Name

2-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(4-METHOXYBENZYL)ACETAMIDE

IUPAC name

n/a

SMILES

COc1ccc(CNC(CC2N3C(SCC(NCCc(cc4)ccc4S(N)(=O)=O)=O)=Nc(cccc4)c4C3=NC2=O)=O)cc1

InChI

InChI=1S/C30H30N6O6S2/c1-42-21-10-6-20(7-11-21)17-33-26(37)16-25-29(39)35-28-23-4-2-3-5-24(23)34-30(36(25)28)43-18-27(38)32-15-14-19-8-12-22(13-9-19)44(31,40)41/h2-13,25H,14-18H2,1H3,(H,32,38)(H,33,37)(H2,31,40,41)/t25-/m0/s1

InChI Key

MHFGQXSHURAAHY-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

634.74

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.530

Distribution Coefficient, logD

0.528

Water Solubility, LogSw

-2.36

Polar Surface Area

142.083

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

K279-1367 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K279-1367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-1367?
Check Price and Availability of K279-1367, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K279-1367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-1367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-1367
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K279-1367 available by request