F092-0232 Screening compound: N-benzyl-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

F092-0232 Screening compound: N-benzyl-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
F092-0232 Screening compound: N-benzyl-2-{[3-(2-methylphenyl)-7-oxo-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 F092-0232
N-benzyl-2-{[3-(2-methylphenyl)-7-oxo-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

F092-0232

Molecular Formula

C21H18N4O2S3 (C21 H18 N4 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1N(C(N=C(NC1=O)SCC(NCc2ccccc2)=O)=C1S1)C1=S

InChI

InChI=1S/C21H18N4O2S3/c1-13-7-5-6-10-15(13)25-18-17(30-21(25)28)19(27)24-20(23-18)29-12-16(26)22-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,27)

InChI Key

ZYXVYVVBOJNAJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941075

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

3.395

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.80

Polar Surface Area

60.467

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F092-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0232?
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What is the minimum amount of F092-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0232
  • 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 F092-0232 available by request