D367-0118 Screening compound: 4-methyl-2-(phenylamino)-7-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinazolin-5-one

D367-0118 Screening compound: 4-methyl-2-(phenylamino)-7-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinazolin-5-one
D367-0118 Screening compound: 4-methyl-2-(phenylamino)-7-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D367-0118
4-methyl-2-(phenylamino)-7-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinazolin-5-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

D367-0118

Molecular Formula

C23H21N3O (C23 H21 N3 O)

Compound Name

4-methyl-2-(phenylamino)-7-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

4-methyl-2-(phenylamino)-7-[(1E)-2-phenylethenyl]-5678-tetrahydroquinazolin-5-one

SMILES

Cc1nc(Nc2ccccc2)nc(CC(C2)/C=C/c3ccccc3)c1C2=O

InChI

InChI=1S/C23H21N3O/c1-16-22-20(26-23(24-16)25-19-10-6-3-7-11-19)14-18(15-21(22)27)13-12-17-8-4-2-5-9-17/h2-13,18H,14-15H2,1H3,(H,24,25,26)/b13-12+/t18-/m1/s1

InChI Key

QDZWXGLFJOHKOY-QFQMRYFISA-N

MDL Number (MFCD)

MFCD08718926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.19

Polar Surface Area

43.831

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

D367-0118 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D367-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D367-0118?
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What is the minimum amount of D367-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D367-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D367-0118
  • 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 D367-0118 available by request