C464-3082 Screening compound: N-(2,5-dimethylphenyl)-3-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide

C464-3082 Screening compound: N-(2,5-dimethylphenyl)-3-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide
C464-3082 Screening compound: N-(2,5-dimethylphenyl)-3-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-3082
N-(2,5-dimethylphenyl)-3-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide

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

C464-3082

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

N-(2,5-dimethylphenyl)-3-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide

IUPAC name

N-(25-dimethylphenyl)-3-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)propanamide

SMILES

Cc1cc(NC(CCNS(c(cc2)cc(CC3)c2NC3=O)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C20H23N3O4S/c1-13-3-4-14(2)18(11-13)23-20(25)9-10-21-28(26,27)16-6-7-17-15(12-16)5-8-19(24)22-17/h3-4,6-7,11-12,21H,5,8-10H2,1-2H3,(H,22,24)(H,23,25)

InChI Key

YUMFCXJDUBRBHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.714

Distribution Coefficient, logD

1.713

Water Solubility, LogSw

-2.53

Polar Surface Area

89.111

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C464-3082 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C464-3082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-3082?
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What is the minimum amount of C464-3082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-3082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-3082
  • 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 C464-3082 available by request