C260-3149 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

C260-3149 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide
C260-3149 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-3149
N-(3-chloro-4-fluorophenyl)-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

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

C260-3149

Molecular Formula

C25H27ClFN3O5S (C25 H27 ClFN3 O5 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{3-[3-(cyclohexanesulfonyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{3-[3-(cyclohexanesulfonyl)propyl]-24-dioxo-1234-tetrahydroquinazolin-1-yl}acetamide

SMILES

O=C(CN(c(cccc1)c1C(N1CCCS(C2CCCCC2)(=O)=O)=O)C1=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C25H27ClFN3O5S/c26-20-15-17(11-12-21(20)27)28-23(31)16-30-22-10-5-4-9-19(22)24(32)29(25(30)33)13-6-14-36(34,35)18-7-2-1-3-8-18/h4-5,9-12,15,18H,1-3,6-8,13-14,16H2,(H,28,31)

InChI Key

JYJACONTFYYCSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.57

Polar Surface Area

83.623

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C260-3149 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C260-3149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-3149?
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What is the minimum amount of C260-3149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-3149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-3149
  • 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 C260-3149 available by request