C487-0226 Screening compound: 1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0226 Screening compound: 1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0226 Screening compound: 1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0226
1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)-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

C487-0226

Molecular Formula

C34H36N4O5 (C34 H36 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(c(ccc(C(NCCc1ccccc1)=O)c1)c1N1CC(NCCC2=CCCCC2)=O)=O)C1=O

InChI

InChI=1S/C34H36N4O5/c1-43-28-15-13-27(14-16-28)38-33(41)29-17-12-26(32(40)36-21-19-25-10-6-3-7-11-25)22-30(29)37(34(38)42)23-31(39)35-20-18-24-8-4-2-5-9-24/h3,6-8,10-17,22H,2,4-5,9,18-21,23H2,1H3,(H,35,39)(H,36,40)

InChI Key

PHRKMPVQWPCVIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-3.86

Polar Surface Area

86.959

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C487-0226 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C487-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0226?
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What is the minimum amount of C487-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0226
  • 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 C487-0226 available by request