8010-0902 Screening compound: 3-benzyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

8010-0902 Screening compound: 3-benzyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
8010-0902 Screening compound: 3-benzyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0902
3-benzyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-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

8010-0902

Molecular Formula

C22H17ClN2OS (C22 H17 ClN2 OS)

Compound Name

3-benzyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-benzyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-34-dihydroquinazolin-4-one

SMILES

O=C1N(Cc2ccccc2)C(SCc(cccc2)c2Cl)=Nc2c1cccc2

InChI

InChI=1S/C22H17ClN2OS/c23-19-12-6-4-10-17(19)15-27-22-24-20-13-7-5-11-18(20)21(26)25(22)14-16-8-2-1-3-9-16/h1-13H,14-15H2

InChI Key

RCBCVPIMLVMNOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.90

Polar Surface Area

25.771

Acid Dissociation Constant (pKa)

31.27

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8010-0902 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0902?
Check Price and Availability of 8010-0902, 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 8010-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0902
  • 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 8010-0902 available by request