V014-2455 Screening compound: 3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)benzyl]propanamide

V014-2455 Screening compound: 3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)benzyl]propanamide
V014-2455 Screening compound: 3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)benzyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2455
3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)benzyl]propanamide

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

V014-2455

Molecular Formula

C26H21F3N2O3 (C26 H21 F3 N2 O3)

Compound Name

3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)benzyl]propanamide

IUPAC name

3-(2H-13-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

O=C(CC(c1c[nH]c2c1cccc2)c1c2OCOc2ccc1)NCc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C26H21F3N2O3/c27-26(28,29)17-6-3-5-16(11-17)13-31-24(32)12-20(19-8-4-10-23-25(19)34-15-33-23)21-14-30-22-9-2-1-7-18(21)22/h1-11,14,20,30H,12-13,15H2,(H,31,32)/t20-/m1/s1

InChI Key

ZJRQWMOLRBXCNQ-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.418

Distribution Coefficient, logD

5.418

Water Solubility, LogSw

-6.21

Polar Surface Area

50.837

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

V014-2455 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V014-2455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2455?
Check Price and Availability of V014-2455, 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 V014-2455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2455
  • 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 V014-2455 available by request