C201-1133 Screening compound: N-(2-methoxy-5-methylphenyl)-2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoxalin-1-yl]acetamide

C201-1133 Screening compound: N-(2-methoxy-5-methylphenyl)-2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoxalin-1-yl]acetamide
C201-1133 Screening compound: N-(2-methoxy-5-methylphenyl)-2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoxalin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1133
N-(2-methoxy-5-methylphenyl)-2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoxalin-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

C201-1133

Molecular Formula

C23H26N4O5S (C23 H26 N4 O5 S)

Compound Name

N-(2-methoxy-5-methylphenyl)-2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoxalin-1-yl]acetamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-[2-oxo-6-(piperidine-1-sulfonyl)-12-dihydroquinoxalin-1-yl]acetamide

SMILES

Cc(cc1)cc(NC(CN(c(ccc(S(N2CCCCC2)(=O)=O)c2)c2N=C2)C2=O)=O)c1OC

InChI

InChI=1S/C23H26N4O5S/c1-16-6-9-21(32-2)19(12-16)25-22(28)15-27-20-8-7-17(13-18(20)24-14-23(27)29)33(30,31)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,25,28)

InChI Key

XEBPUDYDHKFIFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

2.295

Water Solubility, LogSw

-3.04

Polar Surface Area

86.444

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C201-1133 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 C201-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1133?
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What is the minimum amount of C201-1133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1133
  • 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 C201-1133 available by request