D163-0894 Screening compound: 2-[(5-methyl-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-3,4-dihydroquinazolin-4-one

D163-0894 Screening compound: 2-[(5-methyl-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-3,4-dihydroquinazolin-4-one
D163-0894 Screening compound: 2-[(5-methyl-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0894
2-[(5-methyl-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-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

D163-0894

Molecular Formula

C27H25N3O2 (C27 H25 N3 O2)

Compound Name

2-[(5-methyl-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)methyl]-3-phenyl-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(5-methyl-2-oxo-1-propyl-23-dihydro-1H-indol-3-yl)methyl]-3-phenyl-34-dihydroquinazolin-4-one

SMILES

CCCN(C(C1CC(N2c3ccccc3)=Nc(cccc3)c3C2=O)=O)c2c1cc(C)cc2

InChI

InChI=1S/C27H25N3O2/c1-3-15-29-24-14-13-18(2)16-21(24)22(26(29)31)17-25-28-23-12-8-7-11-20(23)27(32)30(25)19-9-5-4-6-10-19/h4-14,16,22H,3,15,17H2,1-2H3/t22-/m0/s1

InChI Key

GVNYBCABIUDOPO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01896736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.979

Water Solubility, LogSw

-4.17

Polar Surface Area

40.313

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D163-0894 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D163-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0894?
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What is the minimum amount of D163-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0894
  • 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 D163-0894 available by request