C746-0370 Screening compound: benzyl 2-{5-oxo-3-phenyl-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl}acetate

C746-0370 Screening compound: benzyl 2-{5-oxo-3-phenyl-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl}acetate
C746-0370 Screening compound: benzyl 2-{5-oxo-3-phenyl-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C746-0370
benzyl 2-{5-oxo-3-phenyl-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl}acetate

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

C746-0370

Molecular Formula

C25H18N2O3S2 (C25 H18 N2 O3 S2)

Compound Name

benzyl 2-{5-oxo-3-phenyl-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl}acetate

IUPAC name

benzyl 2-{5-oxo-3-phenyl-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-4-yl}acetate

SMILES

O=C(CN(C(N1c2c3cccc2)=C(c2ccccc2)SC1=S)C3=O)OCc1ccccc1

InChI

InChI=1S/C25H18N2O3S2/c28-21(30-16-17-9-3-1-4-10-17)15-26-23-22(18-11-5-2-6-12-18)32-25(31)27(23)20-14-8-7-13-19(20)24(26)29/h1-14H,15-16H2

InChI Key

TYUPUWAJZJFRBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.208

Distribution Coefficient, logD

5.208

Water Solubility, LogSw

-5.41

Polar Surface Area

38.322

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C746-0370 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C746-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C746-0370?
Check Price and Availability of C746-0370, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C746-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C746-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C746-0370
  • 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 C746-0370 available by request