V013-2536 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide

V013-2536 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
V013-2536 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2536
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]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

V013-2536

Molecular Formula

C28H27F3N2O3 (C28 H27 F3 N2 O3)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide

SMILES

COc(ccc(CCNC(CC(c1c[nH]c2c1cccc2)c1c(C(F)(F)F)cccc1)=O)c1)c1OC

InChI

InChI=1S/C28H27F3N2O3/c1-35-25-12-11-18(15-26(25)36-2)13-14-32-27(34)16-21(19-7-3-5-9-23(19)28(29,30)31)22-17-33-24-10-6-4-8-20(22)24/h3-12,15,17,21,33H,13-14,16H2,1-2H3,(H,32,34)/t21-/m1/s1

InChI Key

ZKBMZCZDNUFIEM-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19853597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.857

Water Solubility, LogSw

-4.79

Polar Surface Area

49.140

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V013-2536 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V013-2536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2536?
Check Price and Availability of V013-2536, 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 V013-2536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2536
  • 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 V013-2536 available by request