K279-1049 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~-(2-THIENYLMETHYL)ACETAMIDE

K279-1049 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~-(2-THIENYLMETHYL)ACETAMIDE
K279-1049 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~-(2-THIENYLMETHYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-1049
2-{5-[(2-{[4-(AMINOSULFONYL)PHENETHYL]AMINO}-2-OXOETHYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(2-THIENYLMETHYL)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

K279-1049

Molecular Formula

C27H26N6O5S3 (C27 H26 N6 O5 S3)

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~-(2-THIENYLMETHYL)ACETAMIDE

IUPAC name

n/a

SMILES

NS(c1ccc(CCNC(CSC(N2C3CC(NCc4cccs4)=O)=Nc(cccc4)c4C2=NC3=O)=O)cc1)(=O)=O

InChI

InChI=1S/C27H26N6O5S3/c28-41(37,38)19-9-7-17(8-10-19)11-12-29-24(35)16-40-27-31-21-6-2-1-5-20(21)25-32-26(36)22(33(25)27)14-23(34)30-15-18-4-3-13-39-18/h1-10,13,22H,11-12,14-16H2,(H,29,35)(H,30,34)(H2,28,37,38)/t22-/m0/s1

InChI Key

BIOBZKZXDPCIFG-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.74

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.523

Distribution Coefficient, logD

0.521

Water Solubility, LogSw

-2.36

Polar Surface Area

135.558

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

K279-1049 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K279-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-1049?
Check Price and Availability of K279-1049, 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 K279-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-1049
  • 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 K279-1049 available by request