K279-1034 Screening compound: 2-{5-[(3-NITROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(2-THIENYLMETHYL)ACETAMIDE

K279-1034 Screening compound: 2-{5-[(3-NITROBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-(2-THIENYLMETHYL)ACETAMIDE
K279-1034 Screening compound: 2-{5-[(3-NITROBENZYL)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 K279-1034
2-{5-[(3-NITROBENZYL)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

K279-1034

Molecular Formula

C24H19N5O4S2 (C24 H19 N5 O4 S2)

Compound Name

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

IUPAC name

n/a

SMILES

[O-][N+](c1cccc(CSC(N2C3CC(NCc4cccs4)=O)=Nc(cccc4)c4C2=NC3=O)c1)=O

InChI

InChI=1S/C24H19N5O4S2/c30-21(25-13-17-7-4-10-34-17)12-20-23(31)27-22-18-8-1-2-9-19(18)26-24(28(20)22)35-14-15-5-3-6-16(11-15)29(32)33/h1-11,20H,12-14H2,(H,25,30)/t20-/m0/s1

InChI Key

GRUGCPJDUYHKQN-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-3.75

Polar Surface Area

94.023

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

K279-1034 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K279-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-1034?
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What is the minimum amount of K279-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-1034
  • 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 K279-1034 available by request