C746-0269 Screening compound: 4-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

C746-0269 Screening compound: 4-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
C746-0269 Screening compound: 4-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C746-0269
4-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

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

C746-0269

Molecular Formula

C25H19ClN2O3S2 (C25 H19 ClN2 O3 S2)

Compound Name

4-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

IUPAC name

4-[(3-chlorophenyl)methyl]-3-(34-dimethoxyphenyl)-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-5-one

SMILES

COc(ccc(C(SC(N1c2c3cccc2)=S)=C1N(Cc1cccc(Cl)c1)C3=O)c1)c1OC

InChI

InChI=1S/C25H19ClN2O3S2/c1-30-20-11-10-16(13-21(20)31-2)22-23-27(14-15-6-5-7-17(26)12-15)24(29)18-8-3-4-9-19(18)28(23)25(32)33-22/h3-13H,14H2,1-2H3

InChI Key

QWSRMXWABXHDOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.827

Distribution Coefficient, logD

5.827

Water Solubility, LogSw

-5.82

Polar Surface Area

33.049

Acid Dissociation Constant (pKa)

29.83

Base Dissociation Constant (pKb)

-5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C746-0269 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C746-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C746-0269?
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What is the minimum amount of C746-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C746-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C746-0269
  • 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 C746-0269 available by request