C597-0139 Screening compound: N-(2-methylcyclohexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

C597-0139 Screening compound: N-(2-methylcyclohexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide
C597-0139 Screening compound: N-(2-methylcyclohexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0139
N-(2-methylcyclohexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

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

C597-0139

Molecular Formula

C25H31N3O4S (C25 H31 N3 O4 S)

Compound Name

N-(2-methylcyclohexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

IUPAC name

N-(2-methylcyclohexyl)-2-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

SMILES

CC(CCCC1)C1NC(C(Cc1ccccc1)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)=O

InChI

InChI=1S/C25H31N3O4S/c1-17-7-5-6-10-21(17)27-25(30)23(15-18-8-3-2-4-9-18)28-33(31,32)20-12-13-22-19(16-20)11-14-24(29)26-22/h2-4,8-9,12-13,16-17,21,23,28H,5-7,10-11,14-15H2,1H3,(H,26,29)(H,27,30)

InChI Key

BQIMGASVSJFTMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-3.93

Polar Surface Area

91.190

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.00

C597-0139 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C597-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0139?
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What is the minimum amount of C597-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0139
  • 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 C597-0139 available by request