C548-3890 Screening compound: N-(3-chloro-4-fluorophenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

C548-3890 Screening compound: N-(3-chloro-4-fluorophenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
C548-3890 Screening compound: N-(3-chloro-4-fluorophenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3890
N-(3-chloro-4-fluorophenyl)-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

C548-3890

Molecular Formula

C18H17ClFN3O4S (C18 H17 ClFN3 O4 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-(N-methyl2-oxo-1234-tetrahydroquinoline-6-sulfonamido)acetamide

SMILES

CN(CC(Nc(cc1)cc(Cl)c1F)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C18H17ClFN3O4S/c1-23(10-18(25)21-12-3-5-15(20)14(19)9-12)28(26,27)13-4-6-16-11(8-13)2-7-17(24)22-16/h3-6,8-9H,2,7,10H2,1H3,(H,21,25)(H,22,24)

InChI Key

OZGBUTUETSBMMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.87

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

2.614

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-3.42

Polar Surface Area

80.773

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C548-3890 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C548-3890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3890?
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What is the minimum amount of C548-3890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3890
  • 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 C548-3890 available by request