C301-9551 Screening compound: N-[7-(cyclohexanesulfonyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-2-methylbenzamide

C301-9551 Screening compound: N-[7-(cyclohexanesulfonyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-2-methylbenzamide
C301-9551 Screening compound: N-[7-(cyclohexanesulfonyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9551
N-[7-(cyclohexanesulfonyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-2-methylbenzamide

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

C301-9551

Molecular Formula

C24H27N3O5S (C24 H27 N3 O5 S)

Compound Name

N-[7-(cyclohexanesulfonyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-2-methylbenzamide

IUPAC name

N-[7-(cyclohexanesulfonyl)-14-dimethyl-23-dioxo-1234-tetrahydroquinoxalin-6-yl]-2-methylbenzamide

SMILES

Cc(cccc1)c1C(Nc(cc(c(N(C)C1=O)c2)N(C)C1=O)c2S(C1CCCCC1)(=O)=O)=O

InChI

InChI=1S/C24H27N3O5S/c1-15-9-7-8-12-17(15)22(28)25-18-13-19-20(27(3)24(30)23(29)26(19)2)14-21(18)33(31,32)16-10-5-4-6-11-16/h7-9,12-14,16H,4-6,10-11H2,1-3H3,(H,25,28)

InChI Key

HHYQQNILUCOUOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.65

Polar Surface Area

82.684

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C301-9551 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9551?
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What is the minimum amount of C301-9551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9551
  • 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 C301-9551 available by request