C487-0182 Screening compound: 1-[(3-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0182 Screening compound: 1-[(3-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0182 Screening compound: 1-[(3-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0182
1-[(3-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

C487-0182

Molecular Formula

C31H26FN3O4 (C31 H26 FN3 O4)

Compound Name

1-[(3-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

1-[(3-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc1ccc(CNC(c(cc2)cc(N(Cc3cccc(F)c3)C(N3c(cc4)ccc4OC)=O)c2C3=O)=O)cc1

InChI

InChI=1S/C31H26FN3O4/c1-20-6-8-21(9-7-20)18-33-29(36)23-10-15-27-28(17-23)34(19-22-4-3-5-24(32)16-22)31(38)35(30(27)37)25-11-13-26(39-2)14-12-25/h3-17H,18-19H2,1-2H3,(H,33,36)

InChI Key

QPULLKWLUOOYFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-4.64

Polar Surface Area

62.612

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

C487-0182 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C487-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0182?
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What is the minimum amount of C487-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0182
  • 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 C487-0182 available by request