C487-0122 Screening compound: N-[(2-chlorophenyl)methyl]-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0122 Screening compound: N-[(2-chlorophenyl)methyl]-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0122 Screening compound: N-[(2-chlorophenyl)methyl]-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0122
N-[(2-chlorophenyl)methyl]-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}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

C487-0122

Molecular Formula

C33H33ClN4O4 (C33 H33 ClN4 O4)

Compound Name

N-[(2-chlorophenyl)methyl]-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-3-(4-methylphenyl)-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc(cc1)ccc1N(C(c(ccc(C(NCc(cccc1)c1Cl)=O)c1)c1N1CC(NCCC2=CCCCC2)=O)=O)C1=O

InChI

InChI=1S/C33H33ClN4O4/c1-22-11-14-26(15-12-22)38-32(41)27-16-13-24(31(40)36-20-25-9-5-6-10-28(25)34)19-29(27)37(33(38)42)21-30(39)35-18-17-23-7-3-2-4-8-23/h5-7,9-16,19H,2-4,8,17-18,20-21H2,1H3,(H,35,39)(H,36,40)

InChI Key

UQHLGBSBWKDKIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-4.79

Polar Surface Area

79.574

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C487-0122 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 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 C487-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0122?
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What is the minimum amount of C487-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0122
  • 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 C487-0122 available by request