C746-0719 Screening compound: 3-(2-methylphenyl)-4-[(2-methylphenyl)methyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

C746-0719 Screening compound: 3-(2-methylphenyl)-4-[(2-methylphenyl)methyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
C746-0719 Screening compound: 3-(2-methylphenyl)-4-[(2-methylphenyl)methyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C746-0719
3-(2-methylphenyl)-4-[(2-methylphenyl)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

C746-0719

Molecular Formula

C25H20N2OS2 (C25 H20 N2 OS2)

Compound Name

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

IUPAC name

3-(2-methylphenyl)-4-[(2-methylphenyl)methyl]-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-5-one

SMILES

Cc1c(CN(C(N2c3c4cccc3)=C(c3c(C)cccc3)SC2=S)C4=O)cccc1

InChI

InChI=1S/C25H20N2OS2/c1-16-9-3-5-11-18(16)15-26-23-22(19-12-6-4-10-17(19)2)30-25(29)27(23)21-14-8-7-13-20(21)24(26)28/h3-14H,15H2,1-2H3

InChI Key

DXDKHWXWZSMKCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.58

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

6.425

Distribution Coefficient, logD

6.425

Water Solubility, LogSw

-5.69

Polar Surface Area

17.788

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C746-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C746-0719?
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What is the minimum amount of C746-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C746-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C746-0719
  • 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 C746-0719 available by request