V013-2735 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(trifluoromethoxy)benzenesulfonamido]benzamide

V013-2735 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(trifluoromethoxy)benzenesulfonamido]benzamide
V013-2735 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(trifluoromethoxy)benzenesulfonamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2735
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(trifluoromethoxy)benzenesulfonamido]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

V013-2735

Molecular Formula

C22H17F3N2O6S (C22 H17 F3 N2 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(trifluoromethoxy)benzenesulfonamido]benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[2-(trifluoromethoxy)benzenesulfonamido]benzamide

SMILES

O=C(c(cccc1)c1NS(c(cccc1)c1OC(F)(F)F)(=O)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H17F3N2O6S/c23-22(24,25)33-18-7-3-4-8-20(18)34(29,30)27-16-6-2-1-5-15(16)21(28)26-12-14-9-10-17-19(11-14)32-13-31-17/h1-11,27H,12-13H2,(H,26,28)

InChI Key

OOTLUEMPMAYRBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.56

Polar Surface Area

87.742

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

V013-2735 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-2735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2735?
Check Price and Availability of V013-2735, 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 V013-2735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2735
  • 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 V013-2735 available by request