Y020-7989 Screening compound: 3-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-imine

Y020-7989 Screening compound: 3-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-imine
Y020-7989 Screening compound: 3-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7989
3-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-imine

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

Y020-7989

Molecular Formula

C22H18ClN3S (C22 H18 ClN3 S)

Compound Name

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

IUPAC name

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

SMILES

N=C1N(Cc2ccccc2)C(SCc(cc2)ccc2Cl)=Nc2c1cccc2

InChI

InChI=1S/C22H18ClN3S/c23-18-12-10-17(11-13-18)15-27-22-25-20-9-5-4-8-19(20)21(24)26(22)14-16-6-2-1-3-7-16/h1-13,24H,14-15H2

InChI Key

BPKAYIIUCDHPLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08088892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

-0.203

Water Solubility, LogSw

-5.68

Polar Surface Area

29.466

Acid Dissociation Constant (pKa)

33.92

Base Dissociation Constant (pKb)

12.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

Y020-7989 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-7989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7989?
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What is the minimum amount of Y020-7989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7989
  • 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 Y020-7989 available by request