D163-0982 Screening compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one

D163-0982 Screening compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one
D163-0982 Screening compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0982
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-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

D163-0982

Molecular Formula

C29H23N5O2 (C29 H23 N5 O2)

Compound Name

3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-[(1E)-2-(1H-indol-3-yl)ethenyl]-34-dihydroquinazolin-4-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1N(C(/C=C/c1c[nH]c2c1cccc2)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C29H23N5O2/c1-19-27(29(36)34(32(19)2)21-10-4-3-5-11-21)33-26(31-25-15-9-7-13-23(25)28(33)35)17-16-20-18-30-24-14-8-6-12-22(20)24/h3-18,30H,1-2H3

InChI Key

OKLNHAVVGZMFQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06166718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.76

Polar Surface Area

54.565

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

D163-0982 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 D163-0982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0982?
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What is the minimum amount of D163-0982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0982
  • 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 D163-0982 available by request