C260-2306 Screening compound: 4-(7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cyclooctylbutanamide

C260-2306 Screening compound: 4-(7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cyclooctylbutanamide
C260-2306 Screening compound: 4-(7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cyclooctylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2306
4-(7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cyclooctylbutanamide

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

C260-2306

Molecular Formula

C20H26ClN3O3 (C20 H26 ClN3 O3)

Compound Name

4-(7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-cyclooctylbutanamide

IUPAC name

4-(7-chloro-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-cyclooctylbutanamide

SMILES

O=C(CCCN(C(c(ccc(Cl)c1)c1N1)=O)C1=O)NC1CCCCCCC1

InChI

InChI=1S/C20H26ClN3O3/c21-14-10-11-16-17(13-14)23-20(27)24(19(16)26)12-6-9-18(25)22-15-7-4-2-1-3-5-8-15/h10-11,13,15H,1-9,12H2,(H,22,25)(H,23,27)

InChI Key

IDQREQNSBRIEKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.38

Polar Surface Area

64.986

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

C260-2306 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C260-2306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2306?
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What is the minimum amount of C260-2306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2306
  • 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 C260-2306 available by request