C487-0291 Screening compound: 3-(4-ethylphenyl)-1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0291 Screening compound: 3-(4-ethylphenyl)-1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0291 Screening compound: 3-(4-ethylphenyl)-1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0291
3-(4-ethylphenyl)-1-{[(3-methoxyphenyl)carbamoyl]methyl}-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

C487-0291

Molecular Formula

C34H32N4O5 (C34 H32 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(c(ccc(C(NCCc1ccccc1)=O)c1)c1N1CC(Nc2cc(OC)ccc2)=O)=O)C1=O

InChI

InChI=1S/C34H32N4O5/c1-3-23-12-15-27(16-13-23)38-33(41)29-17-14-25(32(40)35-19-18-24-8-5-4-6-9-24)20-30(29)37(34(38)42)22-31(39)36-26-10-7-11-28(21-26)43-2/h4-17,20-21H,3,18-19,22H2,1-2H3,(H,35,40)(H,36,39)

InChI Key

KWQVVSAXKGICOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.40

Polar Surface Area

85.603

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with C487-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0291?
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What is the minimum amount of C487-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0291
  • 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 C487-0291 available by request