C870-0139 Screening compound: 4-(2-chloro-6-fluorobenzyl)-3-phenyl-1-thioxo[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one

C870-0139 Screening compound: 4-(2-chloro-6-fluorobenzyl)-3-phenyl-1-thioxo[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one
C870-0139 Screening compound: 4-(2-chloro-6-fluorobenzyl)-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 C870-0139
4-(2-chloro-6-fluorobenzyl)-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

C870-0139

Molecular Formula

C21H12ClFN2OS3 (C21 H12 ClFN2 OS3)

Compound Name

4-(2-chloro-6-fluorobenzyl)-3-phenyl-1-thioxo[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one

IUPAC name

8-[(2-chloro-6-fluorophenyl)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(Cc(c(F)ccc3)c3Cl)C2=C(c2ccccc2)SC1=S

InChI

InChI=1S/C21H12ClFN2OS3/c22-14-7-4-8-15(23)13(14)11-24-19-17(12-5-2-1-3-6-12)29-21(27)25(19)16-9-10-28-18(16)20(24)26/h1-10H,11H2

InChI Key

DVCKFSYDBMGUES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.99

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

6.002

Distribution Coefficient, logD

6.002

Water Solubility, LogSw

-6.10

Polar Surface Area

18.806

Acid Dissociation Constant (pKa)

31.05

Base Dissociation Constant (pKb)

-8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

C870-0139 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C870-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C870-0139?
Check Price and Availability of C870-0139, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C870-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C870-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C870-0139
  • 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 C870-0139 available by request