4257-1274 Screening compound: 2-(N-benzyl4-bromobenzenesulfonamido)-N-[(pyridin-3-yl)methyl]acetamide

4257-1274 Screening compound: 2-(N-benzyl4-bromobenzenesulfonamido)-N-[(pyridin-3-yl)methyl]acetamide
4257-1274 Screening compound: 2-(N-benzyl4-bromobenzenesulfonamido)-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4257-1274
2-(N-benzyl4-bromobenzenesulfonamido)-N-[(pyridin-3-yl)methyl]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

4257-1274

Molecular Formula

C21H20BrN3O3S (C21 H20 BrN3 O3 S)

Compound Name

2-(N-benzyl4-bromobenzenesulfonamido)-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-(N-benzyl4-bromobenzenesulfonamido)-N-[(pyridin-3-yl)methyl]acetamide

SMILES

O=C(CN(Cc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)NCc1cnccc1

InChI

InChI=1S/C21H20BrN3O3S/c22-19-8-10-20(11-9-19)29(27,28)25(15-17-5-2-1-3-6-17)16-21(26)24-14-18-7-4-12-23-13-18/h1-13H,14-16H2,(H,24,26)

InChI Key

HZLMVUSAQMDGFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01901597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.370

Water Solubility, LogSw

-3.40

Polar Surface Area

65.332

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4257-1274 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4257-1274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4257-1274?
Check Price and Availability of 4257-1274, 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 4257-1274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4257-1274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4257-1274
  • 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 4257-1274 available by request