C487-0197 Screening compound: methyl 2-{2-[3-(4-methoxyphenyl)-7-{[(4-methylphenyl)methyl]carbamoyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate

C487-0197 Screening compound: methyl 2-{2-[3-(4-methoxyphenyl)-7-{[(4-methylphenyl)methyl]carbamoyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate
C487-0197 Screening compound: methyl 2-{2-[3-(4-methoxyphenyl)-7-{[(4-methylphenyl)methyl]carbamoyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0197
methyl 2-{2-[3-(4-methoxyphenyl)-7-{[(4-methylphenyl)methyl]carbamoyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate

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

C487-0197

Molecular Formula

C34H30N4O7 (C34 H30 N4 O7)

Compound Name

methyl 2-{2-[3-(4-methoxyphenyl)-7-{[(4-methylphenyl)methyl]carbamoyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[3-(4-methoxyphenyl)-7-{[(4-methylphenyl)methyl]carbamoyl}-24-dioxo-1234-tetrahydroquinazolin-1-yl]acetamido}benzoate

SMILES

Cc1ccc(CNC(c(cc2)cc(N(CC(Nc(cccc3)c3C(OC)=O)=O)C(N3c(cc4)ccc4OC)=O)c2C3=O)=O)cc1

InChI

InChI=1S/C34H30N4O7/c1-21-8-10-22(11-9-21)19-35-31(40)23-12-17-27-29(18-23)37(20-30(39)36-28-7-5-4-6-26(28)33(42)45-3)34(43)38(32(27)41)24-13-15-25(44-2)16-14-24/h4-18H,19-20H2,1-3H3,(H,35,40)(H,36,39)

InChI Key

ISVQSUKUCMUQLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.973

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.16

Polar Surface Area

106.238

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.70

C487-0197 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 C487-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0197?
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What is the minimum amount of C487-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0197
  • 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 C487-0197 available by request