3786-0544 Screening compound: 2-[N-(5-chloro-2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(pyridin-2-yl)methyl]acetamide

3786-0544 Screening compound: 2-[N-(5-chloro-2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(pyridin-2-yl)methyl]acetamide
3786-0544 Screening compound: 2-[N-(5-chloro-2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3786-0544
2-[N-(5-chloro-2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(pyridin-2-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

3786-0544

Molecular Formula

C22H22ClN3O4S (C22 H22 ClN3 O4 S)

Compound Name

2-[N-(5-chloro-2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(pyridin-2-yl)methyl]acetamide

IUPAC name

2-[N-(5-chloro-2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(pyridin-2-yl)methyl]acetamide

SMILES

Cc(cc1)ccc1S(N(CC(NCc1ncccc1)=O)c(cc(cc1)Cl)c1OC)(=O)=O

InChI

InChI=1S/C22H22ClN3O4S/c1-16-6-9-19(10-7-16)31(28,29)26(20-13-17(23)8-11-21(20)30-2)15-22(27)25-14-18-5-3-4-12-24-18/h3-13H,14-15H2,1-2H3,(H,25,27)

InChI Key

RPBUZOPCGGZACQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02808161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.76

Polar Surface Area

73.136

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3786-0544 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3786-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3786-0544?
Check Price and Availability of 3786-0544, 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 3786-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3786-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3786-0544
  • 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 3786-0544 available by request