F143-0095 Screening compound: 4-methoxy-3-({[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzaldehyde

F143-0095 Screening compound: 4-methoxy-3-({[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzaldehyde
F143-0095 Screening compound: 4-methoxy-3-({[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound F143-0095
4-methoxy-3-({[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzaldehyde

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

F143-0095

Molecular Formula

C22H19N3O3S3 (C22 H19 N3 O3 S3)

Compound Name

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

IUPAC name

4-methoxy-3-({[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}methyl)benzaldehyde

SMILES

Cc(cc1)ccc1N(C(N=C(N(C)C1=O)SCc(cc(C=O)cc2)c2OC)=C1S1)C1=S

InChI

InChI=1S/C22H19N3O3S3/c1-13-4-7-16(8-5-13)25-19-18(31-22(25)29)20(27)24(2)21(23-19)30-12-15-10-14(11-26)6-9-17(15)28-3/h4-11H,12H2,1-3H3

InChI Key

UNDSZHDNDDPKPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.163

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.28

Polar Surface Area

49.393

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F143-0095 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with F143-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F143-0095?
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What is the minimum amount of F143-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F143-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F143-0095
  • 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 F143-0095 available by request