D268-0478 Screening compound: 2-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-one

D268-0478 Screening compound: 2-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-one
D268-0478 Screening compound: 2-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0478
2-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-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

D268-0478

Molecular Formula

C19H13N5OS (C19 H13 N5 OS)

Compound Name

2-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[2-(13-thiazol-5-yl)-1H-13-benzodiazol-1-yl]methyl}-34-dihydroquinazolin-4-one

SMILES

O=C1NC(Cn2c(-c3cncs3)nc3c2cccc3)=Nc2c1cccc2

InChI

InChI=1S/C19H13N5OS/c25-19-12-5-1-2-6-13(12)21-17(23-19)10-24-15-8-4-3-7-14(15)22-18(24)16-9-20-11-26-16/h1-9,11H,10H2,(H,21,23,25)

InChI Key

LPIHOUDBQCDDAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.888

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-3.54

Polar Surface Area

54.927

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D268-0478 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D268-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0478?
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What is the minimum amount of D268-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0478
  • 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 D268-0478 available by request