F092-0112 Screening compound: N-(3-fluoro-4-methylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

F092-0112 Screening compound: N-(3-fluoro-4-methylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
F092-0112 Screening compound: N-(3-fluoro-4-methylphenyl)-2-{[3-(3-methoxyphenyl)-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 F092-0112
N-(3-fluoro-4-methylphenyl)-2-{[3-(3-methoxyphenyl)-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

F092-0112

Molecular Formula

C21H17FN4O3S3 (C21 H17 FN4 O3 S3)

Compound Name

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

IUPAC name

N-(3-fluoro-4-methylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

Cc(ccc(NC(CSC(NC1=O)=NC(N2c3cc(OC)ccc3)=C1SC2=S)=O)c1)c1F

InChI

InChI=1S/C21H17FN4O3S3/c1-11-6-7-12(8-15(11)22)23-16(27)10-31-20-24-18-17(19(28)25-20)32-21(30)26(18)13-4-3-5-14(9-13)29-2/h3-9H,10H2,1-2H3,(H,23,27)(H,24,25,28)

InChI Key

RXVLVUUTOLXYNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.100

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.33

Polar Surface Area

66.989

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F092-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0112?
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What is the minimum amount of F092-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0112
  • 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 F092-0112 available by request