3553-0546 Screening compound: 4-{[N-(5-chloro-2-methylphenyl)benzenesulfonamido]methyl}-N-[(pyridin-2-yl)methyl]benzamide

3553-0546 Screening compound: 4-{[N-(5-chloro-2-methylphenyl)benzenesulfonamido]methyl}-N-[(pyridin-2-yl)methyl]benzamide
3553-0546 Screening compound: 4-{[N-(5-chloro-2-methylphenyl)benzenesulfonamido]methyl}-N-[(pyridin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-0546
4-{[N-(5-chloro-2-methylphenyl)benzenesulfonamido]methyl}-N-[(pyridin-2-yl)methyl]benzamide

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

3553-0546

Molecular Formula

C27H24ClN3O3S (C27 H24 ClN3 O3 S)

Compound Name

4-{[N-(5-chloro-2-methylphenyl)benzenesulfonamido]methyl}-N-[(pyridin-2-yl)methyl]benzamide

IUPAC name

4-{[N-(5-chloro-2-methylphenyl)benzenesulfonamido]methyl}-N-[(pyridin-2-yl)methyl]benzamide

SMILES

Cc(ccc(Cl)c1)c1N(Cc(cc1)ccc1C(NCc1ncccc1)=O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C27H24ClN3O3S/c1-20-10-15-23(28)17-26(20)31(35(33,34)25-8-3-2-4-9-25)19-21-11-13-22(14-12-21)27(32)30-18-24-7-5-6-16-29-24/h2-17H,18-19H2,1H3,(H,30,32)

InChI Key

CPMAQGFUGQJAFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02138710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.951

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-5.05

Polar Surface Area

65.448

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3553-0546 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3553-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-0546?
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What is the minimum amount of 3553-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-0546
  • 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 3553-0546 available by request