8011-4762 Screening compound: 2-{[(1-methyl-1H-1,3-benzimidazol-2-yl)sulfanyl]methyl}-3-phenyl-4(3H)-quinazolinone

8011-4762 Screening compound: 2-{[(1-methyl-1H-1,3-benzimidazol-2-yl)sulfanyl]methyl}-3-phenyl-4(3H)-quinazolinone
8011-4762 Screening compound: 2-{[(1-methyl-1H-1,3-benzimidazol-2-yl)sulfanyl]methyl}-3-phenyl-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4762
2-{[(1-methyl-1H-1,3-benzimidazol-2-yl)sulfanyl]methyl}-3-phenyl-4(3H)-quinazolinone

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

8011-4762

Molecular Formula

C23H18N4OS (C23 H18 N4 OS)

Compound Name

2-{[(1-methyl-1H-1,3-benzimidazol-2-yl)sulfanyl]methyl}-3-phenyl-4(3H)-quinazolinone

IUPAC name

2-{[(1-methyl-1H-13-benzodiazol-2-yl)sulfanyl]methyl}-3-phenyl-34-dihydroquinazolin-4-one

SMILES

Cn1c(SCC(N2c3ccccc3)=Nc(cccc3)c3C2=O)nc2c1cccc2

InChI

InChI=1S/C23H18N4OS/c1-26-20-14-8-7-13-19(20)25-23(26)29-15-21-24-18-12-6-5-11-17(18)22(28)27(21)16-9-3-2-4-10-16/h2-14H,15H2,1H3

InChI Key

JIBZQIJJVZDQRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.97

Polar Surface Area

36.186

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8011-4762 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-4762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4762?
Check Price and Availability of 8011-4762, 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 8011-4762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4762
  • 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 8011-4762 available by request