C172-0131 Screening compound: 3-{5-[4-(4-acetylphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C172-0131 Screening compound: 3-{5-[4-(4-acetylphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C172-0131 Screening compound: 3-{5-[4-(4-acetylphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0131
3-{5-[4-(4-acetylphenyl)piperazin-1-yl]-5-oxopentyl}-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

C172-0131

Molecular Formula

C23H26N4O4S (C23 H26 N4 O4 S)

Compound Name

3-{5-[4-(4-acetylphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-{5-[4-(4-acetylphenyl)piperazin-1-yl]-5-oxopentyl}-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(CCCCN(C(c(scc1)c1N1)=O)C1=O)=O)=O

InChI

InChI=1S/C23H26N4O4S/c1-16(28)17-5-7-18(8-6-17)25-11-13-26(14-12-25)20(29)4-2-3-10-27-22(30)21-19(9-15-32-21)24-23(27)31/h5-9,15H,2-4,10-14H2,1H3,(H,24,31)

InChI Key

DBQSICZVZIUXHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.183

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-2.69

Polar Surface Area

74.957

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C172-0131 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 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

References: we are preparing a list of scientific research reports with C172-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0131?
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What is the minimum amount of C172-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0131
  • 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 C172-0131 available by request