C487-0201 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0201 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0201 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0201
1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-methoxyphenyl)-N-[(4-methylphenyl)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

C487-0201

Molecular Formula

C33H29ClN4O6 (C33 H29 ClN4 O6)

Compound Name

1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc1ccc(CNC(c(cc2)cc(N(CC(Nc(cc(cc3)Cl)c3OC)=O)C(N3c(cc4)ccc4OC)=O)c2C3=O)=O)cc1

InChI

InChI=1S/C33H29ClN4O6/c1-20-4-6-21(7-5-20)18-35-31(40)22-8-14-26-28(16-22)37(19-30(39)36-27-17-23(34)9-15-29(27)44-3)33(42)38(32(26)41)24-10-12-25(43-2)13-11-24/h4-17H,18-19H2,1-3H3,(H,35,40)(H,36,39)

InChI Key

QLPYMCIVANOOPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.07

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.502

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.70

Polar Surface Area

92.694

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

C487-0201 in Drug Discovery

Included in Screening Libraries

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

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 C487-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0201?
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What is the minimum amount of C487-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0201
  • 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 C487-0201 available by request