K292-1892 Screening compound: 4-({2-[({[2-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzoic acid

K292-1892 Screening compound: 4-({2-[({[2-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzoic acid
K292-1892 Screening compound: 4-({2-[({[2-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1892
4-({2-[({[2-(methoxycarbonyl)phenyl]carbamoyl}methyl)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

K292-1892

Molecular Formula

C24H19N3O6S2 (C24 H19 N3 O6 S2)

Compound Name

4-({2-[({[2-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzoic acid

IUPAC name

4-({2-[({[2-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl}methyl)benzoic acid

SMILES

COC(c(cccc1)c1NC(CSC(N(Cc(cc1)ccc1C(O)=O)C1=O)=Nc2c1scc2)=O)=O

InChI

InChI=1S/C24H19N3O6S2/c1-33-23(32)16-4-2-3-5-17(16)25-19(28)13-35-24-26-18-10-11-34-20(18)21(29)27(24)12-14-6-8-15(9-7-14)22(30)31/h2-11H,12-13H2,1H3,(H,25,28)(H,30,31)

InChI Key

HGDVHUUCXBHEBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

0.988

Water Solubility, LogSw

-3.89

Polar Surface Area

98.823

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K292-1892 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K292-1892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1892?
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What is the minimum amount of K292-1892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1892
  • 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 K292-1892 available by request