C597-0062 Screening compound: N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C597-0062 Screening compound: N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C597-0062 Screening compound: N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0062
N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

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

C597-0062

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-1234-tetrahydroquinoline-6-sulfonamide

SMILES

O=C(C(Cc1ccccc1)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C24H29N3O4S/c28-23-13-10-19-17-20(11-12-21(19)25-23)32(30,31)26-22(16-18-8-4-3-5-9-18)24(29)27-14-6-1-2-7-15-27/h3-5,8-9,11-12,17,22,26H,1-2,6-7,10,13-16H2,(H,25,28)/t22-/m0/s1

InChI Key

DTPSFJNZZKYVBN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14774359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-3.52

Polar Surface Area

83.641

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C597-0062 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C597-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0062?
Check Price and Availability of C597-0062, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C597-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0062
  • 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 C597-0062 available by request