C746-0716 Screening compound: 2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N-(3-methylphenyl)acetamide

C746-0716 Screening compound: 2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N-(3-methylphenyl)acetamide
C746-0716 Screening compound: 2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C746-0716
2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N-(3-methylphenyl)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

C746-0716

Molecular Formula

C25H18ClN3O2S2 (C25 H18 ClN3 O2 S2)

Compound Name

2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N-(3-methylphenyl)acetamide

IUPAC name

2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-4-yl]-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CN(C(N2c3c4cccc3)=C(c3cccc(Cl)c3)SC2=S)C4=O)=O)c1

InChI

InChI=1S/C25H18ClN3O2S2/c1-15-6-4-9-18(12-15)27-21(30)14-28-23-22(16-7-5-8-17(26)13-16)33-25(32)29(23)20-11-3-2-10-19(20)24(28)31/h2-13H,14H2,1H3,(H,27,30)

InChI Key

ULNNDDVWFUYWPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.976

Distribution Coefficient, logD

5.976

Water Solubility, LogSw

-5.91

Polar Surface Area

40.937

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with C746-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C746-0716?
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What is the minimum amount of C746-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C746-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C746-0716
  • 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 C746-0716 available by request