C548-3812 Screening compound: N-(2,5-dimethylphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

C548-3812 Screening compound: N-(2,5-dimethylphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
C548-3812 Screening compound: N-(2,5-dimethylphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3812
N-(2,5-dimethylphenyl)-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

C548-3812

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

N-(2,5-dimethylphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

IUPAC name

N-(25-dimethylphenyl)-2-(N-methyl2-oxo-1234-tetrahydroquinoline-6-sulfonamido)acetamide

SMILES

Cc1cc(NC(CN(C)S(c(cc2)cc(CC3)c2NC3=O)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C20H23N3O4S/c1-13-4-5-14(2)18(10-13)22-20(25)12-23(3)28(26,27)16-7-8-17-15(11-16)6-9-19(24)21-17/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,24)(H,22,25)

InChI Key

YDTIWRLVKAHRAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

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

1.925

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.78

Polar Surface Area

80.075

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C548-3812 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 C548-3812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3812?
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What is the minimum amount of C548-3812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3812
  • 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 C548-3812 available by request