K292-1938 Screening compound: 3-[2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]propanoic acid

K292-1938 Screening compound: 3-[2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]propanoic acid
K292-1938 Screening compound: 3-[2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1938
3-[2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]propanoic 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

K292-1938

Molecular Formula

C21H23N3O5S2 (C21 H23 N3 O5 S2)

Compound Name

3-[2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]propanoic acid

IUPAC name

3-[2-({1-[(2-ethoxyphenyl)carbamoyl]propyl}sulfanyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]propanoic acid

SMILES

CCC(C(Nc(cccc1)c1OCC)=O)SC(N(CCC(O)=O)C1=O)=Nc2c1scc2

InChI

InChI=1S/C21H23N3O5S2/c1-3-16(19(27)22-13-7-5-6-8-15(13)29-4-2)31-21-23-14-10-12-30-18(14)20(28)24(21)11-9-17(25)26/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,22,27)(H,25,26)/t16-/m0/s1

InChI Key

QKHGXYVKQCHFSV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15092128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

0.589

Water Solubility, LogSw

-3.48

Polar Surface Area

85.298

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K292-1938 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K292-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1938?
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What is the minimum amount of K292-1938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1938
  • 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 K292-1938 available by request