V012-7099 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,3,4-trifluorobenzenesulfonamido)benzamide

V012-7099 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,3,4-trifluorobenzenesulfonamido)benzamide
V012-7099 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,3,4-trifluorobenzenesulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7099
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,3,4-trifluorobenzenesulfonamido)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

V012-7099

Molecular Formula

C21H15F3N2O5S (C21 H15 F3 N2 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,3,4-trifluorobenzenesulfonamido)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(234-trifluorobenzenesulfonamido)benzamide

SMILES

O=C(c(cccc1)c1NS(c(ccc(F)c1F)c1F)(=O)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H15F3N2O5S/c22-14-6-8-18(20(24)19(14)23)32(28,29)26-15-4-2-1-3-13(15)21(27)25-10-12-5-7-16-17(9-12)31-11-30-16/h1-9,26H,10-11H2,(H,25,27)

InChI Key

XIXDSTQXPLYXCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06377576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-4.29

Polar Surface Area

81.719

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V012-7099 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V012-7099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7099?
Check Price and Availability of V012-7099, 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 V012-7099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7099
  • 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 V012-7099 available by request