C548-3979 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

C548-3979 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
C548-3979 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3979
N-{3-[ethyl(phenyl)amino]propyl}-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

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

C548-3979

Molecular Formula

C23H30N4O4S (C23 H30 N4 O4 S)

Compound Name

N-{3-[ethyl(phenyl)amino]propyl}-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

IUPAC name

N-{3-[ethyl(phenyl)amino]propyl}-2-(N-methyl2-oxo-1234-tetrahydroquinoline-6-sulfonamido)acetamide

SMILES

CCN(CCCNC(CN(C)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C23H30N4O4S/c1-3-27(19-8-5-4-6-9-19)15-7-14-24-23(29)17-26(2)32(30,31)20-11-12-21-18(16-20)10-13-22(28)25-21/h4-6,8-9,11-12,16H,3,7,10,13-15,17H2,1-2H3,(H,24,29)(H,25,28)

InChI Key

UJIKSNLWGVMZTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-2.95

Polar Surface Area

84.926

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C548-3979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3979?
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What is the minimum amount of C548-3979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3979
  • 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 C548-3979 available by request