D163-0986 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4-dihydroquinazolin-4-one

D163-0986 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4-dihydroquinazolin-4-one
D163-0986 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0986
2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-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

D163-0986

Molecular Formula

C31H27N5O2 (C31 H27 N5 O2)

Compound Name

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

IUPAC name

2-[(1E)-2-(12-dimethyl-1H-indol-3-yl)ethenyl]-3-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-34-dihydroquinazolin-4-one

SMILES

Cc1c(/C=C/C(N2C(C3=O)=C(C)N(C)N3c3ccccc3)=Nc(cccc3)c3C2=O)c(cccc2)c2n1C

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.76

Polar Surface Area

46.977

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

D163-0986 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D163-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0986?
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What is the minimum amount of D163-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0986
  • 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 D163-0986 available by request