C172-0295 Screening compound: 3-{3-[4-(2-methoxyphenyl)piperazino]-3-oxopropyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C172-0295 Screening compound: 3-{3-[4-(2-methoxyphenyl)piperazino]-3-oxopropyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C172-0295 Screening compound: 3-{3-[4-(2-methoxyphenyl)piperazino]-3-oxopropyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0295
3-{3-[4-(2-methoxyphenyl)piperazino]-3-oxopropyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-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

C172-0295

Molecular Formula

C20H22N4O4S (C20 H22 N4 O4 S)

Compound Name

3-{3-[4-(2-methoxyphenyl)piperazino]-3-oxopropyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

COc(cccc1)c1N(CC1)CCN1C(CCN(C(c(scc1)c1N1)=O)C1=O)=O

InChI

InChI=1S/C20H22N4O4S/c1-28-16-5-3-2-4-15(16)22-9-11-23(12-10-22)17(25)6-8-24-19(26)18-14(7-13-29-18)21-20(24)27/h2-5,7,13H,6,8-12H2,1H3,(H,21,27)

InChI Key

HTDGMMSXKBABBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.999

Distribution Coefficient, logD

1.999

Water Solubility, LogSw

-2.45

Polar Surface Area

68.459

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C172-0295 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C172-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0295?
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What is the minimum amount of C172-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0295
  • 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 C172-0295 available by request