D467-0013 Screening compound: 2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

D467-0013 Screening compound: 2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
D467-0013 Screening compound: 2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D467-0013
2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)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

D467-0013

Molecular Formula

C18H16N4O2S2 (C18 H16 N4 O2 S2)

Compound Name

2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

IUPAC name

2-({4-oxo-3H4H5H6H7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-(4-phenyl-13-thiazol-2-yl)acetamide

SMILES

O=C(CSC(N1)=NC(CCC2)=C2C1=O)Nc1nc(-c2ccccc2)cs1

InChI

InChI=1S/C18H16N4O2S2/c23-15(10-26-18-19-13-8-4-7-12(13)16(24)22-18)21-17-20-14(9-25-17)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,19,22,24)(H,20,21,23)

InChI Key

YKHKKPSLPNZEJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.43

Polar Surface Area

67.762

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D467-0013 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D467-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D467-0013?
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What is the minimum amount of D467-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D467-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D467-0013
  • 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 D467-0013 available by request