V010-6993 Screening compound: 3-(1-methyl-1H-indol-3-yl)-N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]propanamide

V010-6993 Screening compound: 3-(1-methyl-1H-indol-3-yl)-N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]propanamide
V010-6993 Screening compound: 3-(1-methyl-1H-indol-3-yl)-N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-6993
3-(1-methyl-1H-indol-3-yl)-N-(3-methylbutyl)-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

V010-6993

Molecular Formula

C24H27F3N2O (C24 H27 F3 N2 O)

Compound Name

3-(1-methyl-1H-indol-3-yl)-N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]propanamide

IUPAC name

3-(1-methyl-1H-indol-3-yl)-N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]propanamide

SMILES

CC(C)CCNC(CC(c1cn(C)c2c1cccc2)c1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C24H27F3N2O/c1-16(2)12-13-28-23(30)14-19(17-8-4-6-10-21(17)24(25,26)27)20-15-29(3)22-11-7-5-9-18(20)22/h4-11,15-16,19H,12-14H2,1-3H3,(H,28,30)/t19-/m1/s1

InChI Key

AUIDMCVCZIZJLZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19855108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.374

Distribution Coefficient, logD

5.374

Water Solubility, LogSw

-5.54

Polar Surface Area

26.839

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

V010-6993 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 V010-6993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-6993?
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What is the minimum amount of V010-6993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-6993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-6993
  • 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 V010-6993 available by request