K279-1490 Screening compound: 2-[(3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-(4-FLUOROPHENYL)ACETAMIDE

K279-1490 Screening compound: 2-[(3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-(4-FLUOROPHENYL)ACETAMIDE
K279-1490 Screening compound: 2-[(3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-(4-FLUOROPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-1490
2-[(3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-(4-FLUOROPHENYL)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

K279-1490

Molecular Formula

C28H22FN5O5S (C28 H22 FN5 O5 S)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(CC1N2C(SCC(Nc(cc3)ccc3F)=O)=Nc(cccc3)c3C2=NC1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H22FN5O5S/c29-17-6-8-18(9-7-17)31-25(36)14-40-28-32-20-4-2-1-3-19(20)26-33-27(37)21(34(26)28)12-24(35)30-13-16-5-10-22-23(11-16)39-15-38-22/h1-11,21H,12-15H2,(H,30,35)(H,31,36)/t21-/m0/s1

InChI Key

HYMQJIYVIVUXSN-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.673

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-3.47

Polar Surface Area

99.888

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

K279-1490 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K279-1490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-1490?
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What is the minimum amount of K279-1490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-1490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-1490
  • 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 K279-1490 available by request