C200-8608 Screening compound: 3-{3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C200-8608 Screening compound: 3-{3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C200-8608 Screening compound: 3-{3-[4-(3-methylphenyl)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 C200-8608
3-{3-[4-(3-methylphenyl)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

C200-8608

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(CC2)CCN2C(CCN(C(c(scc2)c2N2)=O)C2=O)=O)c1

InChI

InChI=1S/C20H22N4O3S/c1-14-3-2-4-15(13-14)22-8-10-23(11-9-22)17(25)5-7-24-19(26)18-16(6-12-28-18)21-20(24)27/h2-4,6,12-13H,5,7-11H2,1H3,(H,21,27)

InChI Key

CLGYQSBEFZUTSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

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

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.83

Polar Surface Area

61.130

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C200-8608 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C200-8608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8608?
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What is the minimum amount of C200-8608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8608
  • 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 C200-8608 available by request