C487-0186 Screening compound: 3-(4-methoxyphenyl)-N,1-bis[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0186 Screening compound: 3-(4-methoxyphenyl)-N,1-bis[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0186 Screening compound: 3-(4-methoxyphenyl)-N,1-bis[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0186
3-(4-methoxyphenyl)-N,1-bis[(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

C487-0186

Molecular Formula

C32H29N3O4 (C32 H29 N3 O4)

Compound Name

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

IUPAC name

3-(4-methoxyphenyl)-N1-bis[(4-methylphenyl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc1ccc(CNC(c(cc2)cc(N(Cc3ccc(C)cc3)C(N3c(cc4)ccc4OC)=O)c2C3=O)=O)cc1

InChI

InChI=1S/C32H29N3O4/c1-21-4-8-23(9-5-21)19-33-30(36)25-12-17-28-29(18-25)34(20-24-10-6-22(2)7-11-24)32(38)35(31(28)37)26-13-15-27(39-3)16-14-26/h4-18H,19-20H2,1-3H3,(H,33,36)

InChI Key

LEEBRESVECAOAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.266

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.16

Polar Surface Area

62.612

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

C487-0186 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C487-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0186?
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What is the minimum amount of C487-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0186
  • 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 C487-0186 available by request