C688-0855 Screening compound: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

C688-0855 Screening compound: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide
C688-0855 Screening compound: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C688-0855
2-[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

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

C688-0855

Molecular Formula

C24H16ClN3O3S (C24 H16 ClN3 O3 S)

Compound Name

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

IUPAC name

2-[5-(4-chlorophenyl)-46-dioxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl]-N-phenylacetamide

SMILES

O=C(CN(c1c(C(N2c(cc3)ccc3Cl)=O)sc3c1cccc3)C2=O)Nc1ccccc1

InChI

InChI=1S/C24H16ClN3O3S/c25-15-10-12-17(13-11-15)28-23(30)22-21(18-8-4-5-9-19(18)32-22)27(24(28)31)14-20(29)26-16-6-2-1-3-7-16/h1-13H,14H2,(H,26,29)

InChI Key

QJWDJTHUOXRNGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.93

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

4.905

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-5.07

Polar Surface Area

55.709

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with C688-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C688-0855?
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What is the minimum amount of C688-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C688-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C688-0855
  • 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 C688-0855 available by request