4191-2801 Screening compound: 2-(N-benzylbenzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide

4191-2801 Screening compound: 2-(N-benzylbenzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide
4191-2801 Screening compound: 2-(N-benzylbenzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4191-2801
2-(N-benzylbenzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)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

4191-2801

Molecular Formula

C22H21ClN2O4S (C22 H21 ClN2 O4 S)

Compound Name

2-(N-benzylbenzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide

IUPAC name

2-(N-benzylbenzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide

SMILES

COc(ccc(NC(CN(Cc1ccccc1)S(c1ccccc1)(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-29-21-13-12-18(14-20(21)23)24-22(26)16-25(15-17-8-4-2-5-9-17)30(27,28)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,26)

InChI Key

RYMGKCGNJGIQMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01060541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

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

4.514

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.67

Polar Surface Area

62.122

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4191-2801 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4191-2801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4191-2801?
Check Price and Availability of 4191-2801, 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 4191-2801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4191-2801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4191-2801
  • 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 4191-2801 available by request