C548-3885 Screening compound: N-(3-fluoro-4-methylphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

C548-3885 Screening compound: N-(3-fluoro-4-methylphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
C548-3885 Screening compound: N-(3-fluoro-4-methylphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3885
N-(3-fluoro-4-methylphenyl)-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

C548-3885

Molecular Formula

C19H20FN3O4S (C19 H20 FN3 O4 S)

Compound Name

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

IUPAC name

N-(3-fluoro-4-methylphenyl)-2-(N-methyl2-oxo-1234-tetrahydroquinoline-6-sulfonamido)acetamide

SMILES

Cc(ccc(NC(CN(C)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O)=O)c1)c1F

InChI

InChI=1S/C19H20FN3O4S/c1-12-3-5-14(10-16(12)20)21-19(25)11-23(2)28(26,27)15-6-7-17-13(9-15)4-8-18(24)22-17/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,21,25)(H,22,24)

InChI Key

XYIGRBVGMCQJDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

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

2.534

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-2.97

Polar Surface Area

80.773

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C548-3885 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C548-3885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3885?
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What is the minimum amount of C548-3885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3885
  • 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 C548-3885 available by request