C487-0562 Screening compound: 1-[(3-chlorophenyl)methyl]-N-cyclopentyl-3-[(furan-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0562 Screening compound: 1-[(3-chlorophenyl)methyl]-N-cyclopentyl-3-[(furan-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0562 Screening compound: 1-[(3-chlorophenyl)methyl]-N-cyclopentyl-3-[(furan-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0562
1-[(3-chlorophenyl)methyl]-N-cyclopentyl-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

C487-0562

Molecular Formula

C26H24ClN3O4 (C26 H24 ClN3 O4)

Compound Name

1-[(3-chlorophenyl)methyl]-N-cyclopentyl-3-[(furan-2-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

1-[(3-chlorophenyl)methyl]-N-cyclopentyl-3-[(furan-2-yl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(N2Cc3ccco3)=O)c1C2=O)NC1CCCC1

InChI

InChI=1S/C26H24ClN3O4/c27-19-6-3-5-17(13-19)15-29-23-14-18(24(31)28-20-7-1-2-8-20)10-11-22(23)25(32)30(26(29)33)16-21-9-4-12-34-21/h3-6,9-14,20H,1-2,7-8,15-16H2,(H,28,31)

InChI Key

INYKUIORRVUBQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

5.041

Water Solubility, LogSw

-5.15

Polar Surface Area

63.520

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C487-0562 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C487-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0562?
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What is the minimum amount of C487-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0562
  • 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 C487-0562 available by request