8017-7353 Screening compound: N~3~-[4-(aminosulfonyl)phenethyl]-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

8017-7353 Screening compound: N~3~-[4-(aminosulfonyl)phenethyl]-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
8017-7353 Screening compound: N~3~-[4-(aminosulfonyl)phenethyl]-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7353
N~3~-[4-(aminosulfonyl)phenethyl]-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

8017-7353

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

N~3~-[4-(aminosulfonyl)phenethyl]-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-125678-hexahydroquinoline-3-carboxamide

SMILES

NS(c1ccc(CCNC(C2=CC(CCCC3)=C3NC2=O)=O)cc1)(=O)=O

InChI

InChI=1S/C18H21N3O4S/c19-26(24,25)14-7-5-12(6-8-14)9-10-20-17(22)15-11-13-3-1-2-4-16(13)21-18(15)23/h5-8,11H,1-4,9-10H2,(H,20,22)(H,21,23)(H2,19,24,25)

InChI Key

SXUWGICOPJCAPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.275

Distribution Coefficient, logD

-0.311

Water Solubility, LogSw

-1.94

Polar Surface Area

99.945

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8017-7353 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7353?
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What is the minimum amount of 8017-7353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7353
  • 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 8017-7353 available by request