C487-0592 Screening compound: 1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-3-[(furan-2-yl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0592 Screening compound: 1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-3-[(furan-2-yl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0592 Screening compound: 1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-3-[(furan-2-yl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0592
1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-3-[(furan-2-yl)methyl]-2,4-dioxo-N-(2-phenylethyl)-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

C487-0592

Molecular Formula

C32H30N4O5 (C32 H30 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C)c1NC(CN(c(cc(cc1)C(NCCc2ccccc2)=O)c1C(N1Cc2ccco2)=O)C1=O)=O

InChI

InChI=1S/C32H30N4O5/c1-21-10-13-27(22(2)17-21)34-29(37)20-35-28-18-24(30(38)33-15-14-23-7-4-3-5-8-23)11-12-26(28)31(39)36(32(35)40)19-25-9-6-16-41-25/h3-13,16-18H,14-15,19-20H2,1-2H3,(H,33,38)(H,34,37)

InChI Key

MSSRXRSYJIBVFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.331

Water Solubility, LogSw

-4.25

Polar Surface Area

85.722

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C487-0592 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C487-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0592?
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What is the minimum amount of C487-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0592
  • 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 C487-0592 available by request