C260-1939 Screening compound: 4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-cyclopentylbutanamide

C260-1939 Screening compound: 4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-cyclopentylbutanamide
C260-1939 Screening compound: 4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-cyclopentylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1939
4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-cyclopentylbutanamide

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

C260-1939

Molecular Formula

C27H36N4O4 (C27 H36 N4 O4)

Compound Name

4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-cyclopentylbutanamide

IUPAC name

4-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-24-dioxo-1234-tetrahydroquinazolin-3-yl]-N-cyclopentylbutanamide

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(NCCC2=CCCCC2)=O)=O)C1=O)NC1CCCC1

InChI

InChI=1S/C27H36N4O4/c32-24(29-21-11-4-5-12-21)15-8-18-30-26(34)22-13-6-7-14-23(22)31(27(30)35)19-25(33)28-17-16-20-9-2-1-3-10-20/h6-7,9,13-14,21H,1-5,8,10-12,15-19H2,(H,28,33)(H,29,32)

InChI Key

JDHQHKVSTRIFSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-2.96

Polar Surface Area

80.313

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

C260-1939 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C260-1939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1939?
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What is the minimum amount of C260-1939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1939
  • 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 C260-1939 available by request