F092-0400 Screening compound: N-(2-ethylphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide

F092-0400 Screening compound: N-(2-ethylphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
F092-0400 Screening compound: N-(2-ethylphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F092-0400
N-(2-ethylphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide

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

F092-0400

Molecular Formula

C21H18N4O2S3 (C21 H18 N4 O2 S3)

Compound Name

N-(2-ethylphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide

IUPAC name

N-(2-ethylphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl}sulfanyl)acetamide

SMILES

CCc(cccc1)c1NC(CSC(NC1=O)=NC(N2c3ccccc3)=C1SC2=S)=O

InChI

InChI=1S/C21H18N4O2S3/c1-2-13-8-6-7-11-15(13)22-16(26)12-29-20-23-18-17(19(27)24-20)30-21(28)25(18)14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,22,26)(H,23,24,27)

InChI Key

CBDUQCMHQBPUEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.662

Water Solubility, LogSw

-3.77

Polar Surface Area

58.748

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F092-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0400?
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What is the minimum amount of F092-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0400
  • 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 F092-0400 available by request