8015-0697 Screening compound: 3-(diphenylamino)-2-methyl-3,4-dihydroquinazolin-4-one

8015-0697 Screening compound: 3-(diphenylamino)-2-methyl-3,4-dihydroquinazolin-4-one
8015-0697 Screening compound: 3-(diphenylamino)-2-methyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0697
3-(diphenylamino)-2-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

8015-0697

Molecular Formula

C21H17N3O (C21 H17 N3 O)

Compound Name

3-(diphenylamino)-2-methyl-3,4-dihydroquinazolin-4-one

IUPAC name

3-(diphenylamino)-2-methyl-34-dihydroquinazolin-4-one

SMILES

CC(N1N(c2ccccc2)c2ccccc2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C21H17N3O/c1-16-22-20-15-9-8-14-19(20)21(25)23(16)24(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3

InChI Key

BFNBKXZJCVZRKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01831067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-3.81

Polar Surface Area

29.257

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

-7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8015-0697 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8015-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0697?
Check Price and Availability of 8015-0697, 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 8015-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0697
  • 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 8015-0697 available by request