C260-1097 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(cyclopentylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

C260-1097 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(cyclopentylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide
C260-1097 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(cyclopentylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1097
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(cyclopentylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

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

C260-1097

Molecular Formula

C27H30N4O6 (C27 H30 N4 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(cyclopentylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{1-[(cyclopentylcarbamoyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}butanamide

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(NC2CCCC2)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H30N4O6/c32-24(28-15-18-11-12-22-23(14-18)37-17-36-22)10-5-13-30-26(34)20-8-3-4-9-21(20)31(27(30)35)16-25(33)29-19-6-1-2-7-19/h3-4,8-9,11-12,14,19H,1-2,5-7,10,13,15-17H2,(H,28,32)(H,29,33)

InChI Key

YGOCXCHCSHPVMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

1.921

Water Solubility, LogSw

-2.95

Polar Surface Area

97.395

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C260-1097 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1097?
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What is the minimum amount of C260-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1097
  • 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 C260-1097 available by request