C487-0025 Screening compound: 1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0025 Screening compound: 1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0025 Screening compound: 1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0025
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-2,4-dioxo-3-phenyl-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

C487-0025

Molecular Formula

C28H21ClN4O5 (C28 H21 ClN4 O5)

Compound Name

1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[(furan-2-yl)methyl]-24-dioxo-3-phenyl-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(CN(c(cc(cc1)C(NCc2ccco2)=O)c1C(N1c2ccccc2)=O)C1=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C28H21ClN4O5/c29-19-6-4-7-20(15-19)31-25(34)17-32-24-14-18(26(35)30-16-22-10-5-13-38-22)11-12-23(24)27(36)33(28(32)37)21-8-2-1-3-9-21/h1-15H,16-17H2,(H,30,35)(H,31,34)

InChI Key

XBYFWVXETGNOIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.52

Polar Surface Area

85.967

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

C487-0025 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C487-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0025?
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What is the minimum amount of C487-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0025
  • 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 C487-0025 available by request