C487-0577 Screening compound: 3-[(furan-2-yl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1-{[(2-phenylethyl)carbamoyl]methyl}-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0577 Screening compound: 3-[(furan-2-yl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1-{[(2-phenylethyl)carbamoyl]methyl}-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0577 Screening compound: 3-[(furan-2-yl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1-{[(2-phenylethyl)carbamoyl]methyl}-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0577
3-[(furan-2-yl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1-{[(2-phenylethyl)carbamoyl]methyl}-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

C487-0577

Molecular Formula

C32H30N4O5 (C32 H30 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cc(cc1)C(NCCc2ccccc2)=O)c1C(N1Cc2ccco2)=O)C1=O)NCCc1ccccc1

InChI

InChI=1S/C32H30N4O5/c37-29(33-17-15-23-8-3-1-4-9-23)22-35-28-20-25(30(38)34-18-16-24-10-5-2-6-11-24)13-14-27(28)31(39)36(32(35)40)21-26-12-7-19-41-26/h1-14,19-20H,15-18,21-22H2,(H,33,37)(H,34,38)

InChI Key

KLJZADVFMRLRRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.61

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

3.200

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.65

Polar Surface Area

87.583

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C487-0577 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C487-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0577?
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What is the minimum amount of C487-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0577
  • 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 C487-0577 available by request