K279-0850 Screening compound: 3-(5-{[2-(2,4-DIMETHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-PHENETHYLPROPANAMIDE

K279-0850 Screening compound: 3-(5-{[2-(2,4-DIMETHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-PHENETHYLPROPANAMIDE
K279-0850 Screening compound: 3-(5-{[2-(2,4-DIMETHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-PHENETHYLPROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0850
3-(5-{[2-(2,4-DIMETHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-PHENETHYLPROPANAMIDE

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

K279-0850

Molecular Formula

C31H31N5O5S (C31 H31 N5 O5 S)

Compound Name

3-(5-{[2-(2,4-DIMETHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-PHENETHYLPROPANAMIDE

IUPAC name

n/a

SMILES

COc(cc1)cc(OC)c1NC(CSC(N1C2CCC(NCCc3ccccc3)=O)=Nc(cccc3)c3C1=NC2=O)=O

InChI

InChI=1S/C31H31N5O5S/c1-40-21-12-13-24(26(18-21)41-2)33-28(38)19-42-31-34-23-11-7-6-10-22(23)29-35-30(39)25(36(29)31)14-15-27(37)32-17-16-20-8-4-3-5-9-20/h3-13,18,25H,14-17,19H2,1-2H3,(H,32,37)(H,33,38)/t25-/m0/s1

InChI Key

XTUSXWHLRQHEHH-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-3.47

Polar Surface Area

97.090

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

K279-0850 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K279-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0850?
Check Price and Availability of K279-0850, 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 K279-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0850
  • 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 K279-0850 available by request