V029-3687 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide

V029-3687 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
V029-3687 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3687
3-(1-benzyl-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

V029-3687

Molecular Formula

C28H27F3N2O2 (C28 H27 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(CC(c1cn(Cc2ccccc2)c2c1cccc2)c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C28H27F3N2O2/c1-35-15-14-32-27(34)17-24(21-10-7-11-22(16-21)28(29,30)31)25-19-33(18-20-8-3-2-4-9-20)26-13-6-5-12-23(25)26/h2-13,16,19,24H,14-15,17-18H2,1H3,(H,32,34)/t24-/m1/s1

InChI Key

WKSKNDAAALVUAN-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19777232

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.382

Water Solubility, LogSw

-5.71

Polar Surface Area

34.354

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V029-3687 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 V029-3687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3687?
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What is the minimum amount of V029-3687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3687
  • 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 V029-3687 available by request