C548-3891 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

C548-3891 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
C548-3891 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3891
N-(3-chloro-4-methoxyphenyl)-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

C548-3891

Molecular Formula

C19H20ClN3O5S (C19 H20 ClN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CC(Nc(cc1)cc(Cl)c1OC)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C19H20ClN3O5S/c1-23(11-19(25)21-13-4-7-17(28-2)15(20)10-13)29(26,27)14-5-6-16-12(9-14)3-8-18(24)22-16/h4-7,9-10H,3,8,11H2,1-2H3,(H,21,25)(H,22,24)

InChI Key

LJXZHVZOJFJLNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.395

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-3.30

Polar Surface Area

88.403

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C548-3891 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 C548-3891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3891?
Check Price and Availability of C548-3891, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C548-3891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3891
  • 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 C548-3891 available by request