3272-1153 Screening compound: 4-(N-benzylmethanesulfonamido)-N-[(pyridin-4-yl)methyl]benzamide

3272-1153 Screening compound: 4-(N-benzylmethanesulfonamido)-N-[(pyridin-4-yl)methyl]benzamide
3272-1153 Screening compound: 4-(N-benzylmethanesulfonamido)-N-[(pyridin-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-1153
4-(N-benzylmethanesulfonamido)-N-[(pyridin-4-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

3272-1153

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

4-(N-benzylmethanesulfonamido)-N-[(pyridin-4-yl)methyl]benzamide

IUPAC name

4-(N-benzylmethanesulfonamido)-N-[(pyridin-4-yl)methyl]benzamide

SMILES

CS(N(Cc1ccccc1)c(cc1)ccc1C(NCc1ccncc1)=O)(=O)=O

InChI

InChI=1S/C21H21N3O3S/c1-28(26,27)24(16-18-5-3-2-4-6-18)20-9-7-19(8-10-20)21(25)23-15-17-11-13-22-14-12-17/h2-14H,15-16H2,1H3,(H,23,25)

InChI Key

LQDUMLQEHJTJJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01186920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

1.992

Water Solubility, LogSw

-2.37

Polar Surface Area

65.398

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3272-1153 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3272-1153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-1153?
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What is the minimum amount of 3272-1153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-1153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-1153
  • 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 3272-1153 available by request