C870-0138 Screening compound: 4-(3-chlorobenzyl)-3-phenyl-1-thioxo[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one

C870-0138 Screening compound: 4-(3-chlorobenzyl)-3-phenyl-1-thioxo[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one
C870-0138 Screening compound: 4-(3-chlorobenzyl)-3-phenyl-1-thioxo[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C870-0138
4-(3-chlorobenzyl)-3-phenyl-1-thioxo[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one

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

C870-0138

Molecular Formula

C21H13ClN2OS3 (C21 H13 ClN2 OS3)

Compound Name

4-(3-chlorobenzyl)-3-phenyl-1-thioxo[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one

IUPAC name

8-[(3-chlorophenyl)methyl]-10-phenyl-12-sulfanylidene-511-dithia-18-diazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-7-one

SMILES

O=C(c(scc1)c1N12)N(Cc3cccc(Cl)c3)C2=C(c2ccccc2)SC1=S

InChI

InChI=1S/C21H13ClN2OS3/c22-15-8-4-5-13(11-15)12-23-19-17(14-6-2-1-3-7-14)28-21(26)24(19)16-9-10-27-18(16)20(23)25/h1-11H,12H2

InChI Key

RWFDADNPKZPCEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.182

Distribution Coefficient, logD

6.182

Water Solubility, LogSw

-6.26

Polar Surface Area

18.806

Acid Dissociation Constant (pKa)

30.66

Base Dissociation Constant (pKb)

-7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

C870-0138 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C870-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C870-0138?
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What is the minimum amount of C870-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C870-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C870-0138
  • 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 C870-0138 available by request