F092-0424 Screening compound: N-(3,4-dimethoxyphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide

F092-0424 Screening compound: N-(3,4-dimethoxyphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
F092-0424 Screening compound: N-(3,4-dimethoxyphenyl)-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 F092-0424
N-(3,4-dimethoxyphenyl)-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

F092-0424

Molecular Formula

C21H18N4O4S3 (C21 H18 N4 O4 S3)

Compound Name

N-(3,4-dimethoxyphenyl)-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-(34-dimethoxyphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl}sulfanyl)acetamide

SMILES

COc(ccc(NC(CSC(NC1=O)=NC(N2c3ccccc3)=C1SC2=S)=O)c1)c1OC

InChI

InChI=1S/C21H18N4O4S3/c1-28-14-9-8-12(10-15(14)29-2)22-16(26)11-31-20-23-18-17(19(27)24-20)32-21(30)25(18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,24,27)

InChI Key

WGPBITLAHGRMAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.30

Polar Surface Area

74.706

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F092-0424 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F092-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0424?
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What is the minimum amount of F092-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0424
  • 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 F092-0424 available by request