C548-3810 Screening compound: N-(4-bromophenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

C548-3810 Screening compound: N-(4-bromophenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
C548-3810 Screening compound: N-(4-bromophenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3810
N-(4-bromophenyl)-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

C548-3810

Molecular Formula

C18H18BrN3O4S (C18 H18 BrN3 O4 S)

Compound Name

N-(4-bromophenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

IUPAC name

N-(4-bromophenyl)-2-(N-methyl2-oxo-1234-tetrahydroquinoline-6-sulfonamido)acetamide

SMILES

CN(CC(Nc(cc1)ccc1Br)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C18H18BrN3O4S/c1-22(11-18(24)20-14-5-3-13(19)4-6-14)27(25,26)15-7-8-16-12(10-15)2-9-17(23)21-16/h3-8,10H,2,9,11H2,1H3,(H,20,24)(H,21,23)

InChI Key

LOLZECZQTAIPMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.718

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-3.36

Polar Surface Area

80.773

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C548-3810 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with C548-3810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3810?
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What is the minimum amount of C548-3810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3810
  • 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 C548-3810 available by request