C487-0542 Screening compound: N-cyclopentyl-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-3-[(furan-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0542 Screening compound: N-cyclopentyl-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-3-[(furan-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0542 Screening compound: N-cyclopentyl-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-3-[(furan-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0542
N-cyclopentyl-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-3-[(furan-2-yl)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

C487-0542

Molecular Formula

C29H30N4O5 (C29 H30 N4 O5)

Compound Name

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

IUPAC name

N-cyclopentyl-1-{[(25-dimethylphenyl)carbamoyl]methyl}-3-[(furan-2-yl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc1cc(NC(CN(c(cc(cc2)C(NC3CCCC3)=O)c2C(N2Cc3ccco3)=O)C2=O)=O)c(C)cc1

InChI

InChI=1S/C29H30N4O5/c1-18-9-10-19(2)24(14-18)31-26(34)17-32-25-15-20(27(35)30-21-6-3-4-7-21)11-12-23(25)28(36)33(29(32)37)16-22-8-5-13-38-22/h5,8-15,21H,3-4,6-7,16-17H2,1-2H3,(H,30,35)(H,31,34)

InChI Key

XCRBPLZWLRLQGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.58

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

3.833

Distribution Coefficient, logD

3.833

Water Solubility, LogSw

-3.92

Polar Surface Area

85.972

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C487-0542 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C487-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0542?
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What is the minimum amount of C487-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0542
  • 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 C487-0542 available by request