C172-0206 Screening compound: 3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C172-0206 Screening compound: 3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C172-0206 Screening compound: 3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0206
3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-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

C172-0206

Molecular Formula

C20H21ClN4O3S (C20 H21 ClN4 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(CCCN(C(c(scc1)c1N1)=O)C1=O)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C20H21ClN4O3S/c21-14-3-5-15(6-4-14)23-9-11-24(12-10-23)17(26)2-1-8-25-19(27)18-16(7-13-29-18)22-20(25)28/h3-7,13H,1-2,8-12H2,(H,22,28)

InChI Key

XLWVKIXPIOBILT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

2.721

Water Solubility, LogSw

-3.57

Polar Surface Area

61.130

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C172-0206 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Nucleic Acid Ligands (8311 compounds)

Therapeutical Diversity Annotated Library (7563 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
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C172-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0206?
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What is the minimum amount of C172-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0206
  • 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 C172-0206 available by request