C172-0272 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C172-0272 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C172-0272 Screening compound: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0272
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

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

C172-0272

Molecular Formula

C19H19ClN4O3S (C19 H19 ClN4 O3 S)

Compound Name

3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

O=C(CCN(C(c(scc1)c1N1)=O)C1=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C19H19ClN4O3S/c20-13-2-1-3-14(12-13)22-7-9-23(10-8-22)16(25)4-6-24-18(26)17-15(5-11-28-17)21-19(24)27/h1-3,5,11-12H,4,6-10H2,(H,21,27)

InChI Key

XIFSOAQSBXEQQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-3.54

Polar Surface Area

61.130

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C172-0272 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Nucleic Acid Ligands (8311 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C172-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0272?
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What is the minimum amount of C172-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0272
  • 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 C172-0272 available by request