C464-3105 Screening compound: N-[2-(4-methylphenyl)ethyl]-3-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide

C464-3105 Screening compound: N-[2-(4-methylphenyl)ethyl]-3-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide
C464-3105 Screening compound: N-[2-(4-methylphenyl)ethyl]-3-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-3105
N-[2-(4-methylphenyl)ethyl]-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

C464-3105

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

N-[2-(4-methylphenyl)ethyl]-3-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide

IUPAC name

N-[2-(4-methylphenyl)ethyl]-3-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)propanamide

SMILES

Cc1ccc(CCNC(CCNS(c(cc2)cc(CC3)c2NC3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C21H25N3O4S/c1-15-2-4-16(5-3-15)10-12-22-20(25)11-13-23-29(27,28)18-7-8-19-17(14-18)6-9-21(26)24-19/h2-5,7-8,14,23H,6,9-13H2,1H3,(H,22,25)(H,24,26)

InChI Key

YMYUTARRKSFZTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.571

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-2.46

Polar Surface Area

90.972

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C464-3105 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C464-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-3105?
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What is the minimum amount of C464-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-3105
  • 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 C464-3105 available by request