K292-1958 Screening compound: 4-{[2-({1-[(5-chloro-2-methylphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}benzoic acid

K292-1958 Screening compound: 4-{[2-({1-[(5-chloro-2-methylphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}benzoic acid
K292-1958 Screening compound: 4-{[2-({1-[(5-chloro-2-methylphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1958
4-{[2-({1-[(5-chloro-2-methylphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}benzoic acid

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

K292-1958

Molecular Formula

C25H22ClN3O4S2 (C25 H22 ClN3 O4 S2)

Compound Name

4-{[2-({1-[(5-chloro-2-methylphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}benzoic acid

IUPAC name

4-{[2-({1-[(5-chloro-2-methylphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]methyl}benzoic acid

SMILES

CCC(C(Nc1c(C)ccc(Cl)c1)=O)SC(N(Cc(cc1)ccc1C(O)=O)C1=O)=Nc2c1scc2

InChI

InChI=1S/C25H22ClN3O4S2/c1-3-20(22(30)27-19-12-17(26)9-4-14(19)2)35-25-28-18-10-11-34-21(18)23(31)29(25)13-15-5-7-16(8-6-15)24(32)33/h4-12,20H,3,13H2,1-2H3,(H,27,30)(H,32,33)/t20-/m0/s1

InChI Key

MCZNNDKQTGVUFW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15092137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.05

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.002

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-5.83

Polar Surface Area

77.862

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

K292-1958 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 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

References: we are preparing a list of scientific research reports with K292-1958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1958?
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What is the minimum amount of K292-1958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1958
  • 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 K292-1958 available by request