V010-9872 Screening compound: N-(2-methylpropyl)-4-(prop-2-en-1-yloxy)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide

V010-9872 Screening compound: N-(2-methylpropyl)-4-(prop-2-en-1-yloxy)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide
V010-9872 Screening compound: N-(2-methylpropyl)-4-(prop-2-en-1-yloxy)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9872
N-(2-methylpropyl)-4-(prop-2-en-1-yloxy)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide

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

V010-9872

Molecular Formula

C24H25F3N2O2 (C24 H25 F3 N2 O2)

Compound Name

N-(2-methylpropyl)-4-(prop-2-en-1-yloxy)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide

IUPAC name

N-(2-methylpropyl)-4-(prop-2-en-1-yloxy)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide

SMILES

CC(C)CNC(c1cc(c(OCC=C)ccc2)c2n1Cc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C24H25F3N2O2/c1-4-11-31-22-10-6-9-20-19(22)13-21(23(30)28-14-16(2)3)29(20)15-17-7-5-8-18(12-17)24(25,26)27/h4-10,12-13,16H,1,11,14-15H2,2-3H3,(H,28,30)

InChI Key

UFVGNFNSVTWAKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.308

Distribution Coefficient, logD

6.308

Water Solubility, LogSw

-5.85

Polar Surface Area

32.882

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V010-9872 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 V010-9872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9872?
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What is the minimum amount of V010-9872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9872
  • 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 V010-9872 available by request