3730-1205 Screening compound: 2-{N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(pyridin-3-yl)acetamide

3730-1205 Screening compound: 2-{N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(pyridin-3-yl)acetamide
3730-1205 Screening compound: 2-{N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(pyridin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3730-1205
2-{N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(pyridin-3-yl)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

3730-1205

Molecular Formula

C20H15ClF3N3O3S (C20 H15 ClF3 N3 O3 S)

Compound Name

2-{N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(pyridin-3-yl)acetamide

IUPAC name

2-{N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(pyridin-3-yl)acetamide

SMILES

O=C(CN(c(cc1)cc(C(F)(F)F)c1Cl)S(c1ccccc1)(=O)=O)Nc1cnccc1

InChI

InChI=1S/C20H15ClF3N3O3S/c21-18-9-8-15(11-17(18)20(22,23)24)27(31(29,30)16-6-2-1-3-7-16)13-19(28)26-14-5-4-10-25-12-14/h1-12H,13H2,(H,26,28)

InChI Key

IQKFLSWXXDACCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01968684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.87

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

4.228

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.67

Polar Surface Area

64.459

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3730-1205 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3730-1205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3730-1205?
Check Price and Availability of 3730-1205, 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 3730-1205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3730-1205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3730-1205
  • 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 3730-1205 available by request