C487-0050 Screening compound: N-[(furan-2-yl)methyl]-1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0050 Screening compound: N-[(furan-2-yl)methyl]-1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0050 Screening compound: N-[(furan-2-yl)methyl]-1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0050
N-[(furan-2-yl)methyl]-1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-3-(4-methylphenyl)-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

C487-0050

Molecular Formula

C27H24N6O5 (C27 H24 N6 O5)

Compound Name

N-[(furan-2-yl)methyl]-1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-1-{[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}-3-(4-methylphenyl)-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc1cc(NC(CN(c(cc(cc2)C(NCc3ccco3)=O)c2C(N2c3ccc(C)cc3)=O)C2=O)=O)n[nH]1

InChI

InChI=1S/C27H24N6O5/c1-16-5-8-19(9-6-16)33-26(36)21-10-7-18(25(35)28-14-20-4-3-11-38-20)13-22(21)32(27(33)37)15-24(34)29-23-12-17(2)30-31-23/h3-13H,14-15H2,1-2H3,(H,28,35)(H2,29,30,31,34)

InChI Key

WPIMUMOKBFBYBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.41

Polar Surface Area

109.102

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C487-0050 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C487-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0050?
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What is the minimum amount of C487-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0050
  • 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 C487-0050 available by request