C487-0181 Screening compound: 1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0181 Screening compound: 1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0181 Screening compound: 1-[(2-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 C487-0181
1-[(2-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

C487-0181

Molecular Formula

C31H26FN3O4 (C31 H26 FN3 O4)

Compound Name

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

IUPAC name

1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc1ccc(CNC(c(cc2)cc(N(Cc(cccc3)c3F)C(N3c(cc4)ccc4OC)=O)c2C3=O)=O)cc1

InChI

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

InChI Key

SPINZVYKDXSBQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761501

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

4.983

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.57

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

C487-0181 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C487-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0181?
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What is the minimum amount of C487-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0181
  • 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 C487-0181 available by request