C487-0108 Screening compound: N-[(2-chlorophenyl)methyl]-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0108 Screening compound: N-[(2-chlorophenyl)methyl]-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0108 Screening compound: N-[(2-chlorophenyl)methyl]-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0108
N-[(2-chlorophenyl)methyl]-1-[(4-chlorophenyl)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

C487-0108

Molecular Formula

C30H23Cl2N3O3 (C30 H23 Cl2 N3 O3)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc(cc1)ccc1N(C(c(ccc(C(NCc(cccc1)c1Cl)=O)c1)c1N1Cc(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C30H23Cl2N3O3/c1-19-6-13-24(14-7-19)35-29(37)25-15-10-21(28(36)33-17-22-4-2-3-5-26(22)32)16-27(25)34(30(35)38)18-20-8-11-23(31)12-9-20/h2-16H,17-18H2,1H3,(H,33,36)

InChI Key

KYZSSDXBQALKNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.237

Distribution Coefficient, logD

6.237

Water Solubility, LogSw

-5.88

Polar Surface Area

55.069

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C487-0108 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C487-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0108?
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What is the minimum amount of C487-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0108
  • 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 C487-0108 available by request