C688-1193 Screening compound: 2-[3-(2-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-cyclopentylacetamide

C688-1193 Screening compound: 2-[3-(2-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-cyclopentylacetamide
C688-1193 Screening compound: 2-[3-(2-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-1193
2-[3-(2-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-cyclopentylacetamide

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

C688-1193

Molecular Formula

C23H20ClN3O3S (C23 H20 ClN3 O3 S)

Compound Name

2-[3-(2-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-cyclopentylacetamide

IUPAC name

2-[5-(2-chlorophenyl)-46-dioxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl]-N-cyclopentylacetamide

SMILES

O=C(CN(c1c(C(N2c(cccc3)c3Cl)=O)sc3c1cccc3)C2=O)NC1CCCC1

InChI

InChI=1S/C23H20ClN3O3S/c24-16-10-4-5-11-17(16)27-22(29)21-20(15-9-3-6-12-18(15)31-21)26(23(27)30)13-19(28)25-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8,13H2,(H,25,28)

InChI Key

JQYURPUALJBHMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.452

Distribution Coefficient, logD

4.452

Water Solubility, LogSw

-4.44

Polar Surface Area

56.821

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C688-1193 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C688-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-1193?
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What is the minimum amount of C688-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-1193
  • 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 C688-1193 available by request