V030-0453 Screening compound: 3-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide

V030-0453 Screening compound: 3-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
V030-0453 Screening compound: 3-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0453
3-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-3-[3-(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

V030-0453

Molecular Formula

C21H20ClF3N2O2 (C21 H20 ClF3 N2 O2)

Compound Name

3-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide

IUPAC name

3-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide

SMILES

COCCNC(CC(c1c[nH]c(cc2)c1cc2Cl)c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C21H20ClF3N2O2/c1-29-8-7-26-20(28)11-16(13-3-2-4-14(9-13)21(23,24)25)18-12-27-19-6-5-15(22)10-17(18)19/h2-6,9-10,12,16,27H,7-8,11H2,1H3,(H,26,28)/t16-/m1/s1

InChI Key

QRACXNXVLSCAHK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19779710

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.85

Polar Surface Area

42.493

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

V030-0453 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V030-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0453?
Check Price and Availability of V030-0453, 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 V030-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0453
  • 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 V030-0453 available by request