C487-0395 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0395 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0395 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0395
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-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

C487-0395

Molecular Formula

C30H30N4O7 (C30 H30 N4 O7)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-({[(furan-2-yl)methyl]carbamoyl}methyl)-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(CN(c(cc(cc1)C(NC2CCCCC2)=O)c1C(N1Cc(cc2)cc3c2OCO3)=O)C1=O)NCc1ccco1

InChI

InChI=1S/C30H30N4O7/c35-27(31-15-22-7-4-12-39-22)17-33-24-14-20(28(36)32-21-5-2-1-3-6-21)9-10-23(24)29(37)34(30(33)38)16-19-8-11-25-26(13-19)41-18-40-25/h4,7-14,21H,1-3,5-6,15-18H2,(H,31,35)(H,32,36)

InChI Key

JAVWOIBPHFEUBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.193

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.32

Polar Surface Area

104.741

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C487-0395 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C487-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0395?
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What is the minimum amount of C487-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0395
  • 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 C487-0395 available by request