C746-0028 Screening compound: 3-(4-chlorophenyl)-4-[(2,5-dimethylphenyl)methyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

C746-0028 Screening compound: 3-(4-chlorophenyl)-4-[(2,5-dimethylphenyl)methyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
C746-0028 Screening compound: 3-(4-chlorophenyl)-4-[(2,5-dimethylphenyl)methyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C746-0028
3-(4-chlorophenyl)-4-[(2,5-dimethylphenyl)methyl]-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

C746-0028

Molecular Formula

C25H19ClN2OS2 (C25 H19 ClN2 OS2)

Compound Name

3-(4-chlorophenyl)-4-[(2,5-dimethylphenyl)methyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

IUPAC name

3-(4-chlorophenyl)-4-[(25-dimethylphenyl)methyl]-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-5-one

SMILES

Cc1cc(CN(C(N2c3c4cccc3)=C(c(cc3)ccc3Cl)SC2=S)C4=O)c(C)cc1

InChI

InChI=1S/C25H19ClN2OS2/c1-15-7-8-16(2)18(13-15)14-27-23-22(17-9-11-19(26)12-10-17)31-25(30)28(23)21-6-4-3-5-20(21)24(27)29/h3-13H,14H2,1-2H3

InChI Key

ZDRAHDOGDODSRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.253

Distribution Coefficient, logD

7.253

Water Solubility, LogSw

-6.15

Polar Surface Area

17.788

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C746-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C746-0028?
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What is the minimum amount of C746-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C746-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C746-0028
  • 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 C746-0028 available by request