K279-0894 Screening compound: 3-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)PROPANAMIDE

K279-0894 Screening compound: 3-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)PROPANAMIDE
K279-0894 Screening compound: 3-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0894
3-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)PROPANAMIDE

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

K279-0894

Molecular Formula

C27H25N5O4S2 (C27 H25 N5 O4 S2)

Compound Name

3-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-THIENYLMETHYL)PROPANAMIDE

IUPAC name

n/a

SMILES

COc1cccc(NC(CSC(N2C3CCC(NCc4cccs4)=O)=Nc(cccc4)c4C2=NC3=O)=O)c1

InChI

InChI=1S/C27H25N5O4S2/c1-36-18-7-4-6-17(14-18)29-24(34)16-38-27-30-21-10-3-2-9-20(21)25-31-26(35)22(32(25)27)11-12-23(33)28-15-19-8-5-13-37-19/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,28,33)(H,29,34)/t22-/m0/s1

InChI Key

MMNQKBPWIAWITD-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.110

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.65

Polar Surface Area

91.335

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

K279-0894 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
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 K279-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0894?
Check Price and Availability of K279-0894, 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 K279-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0894
  • 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 K279-0894 available by request