V016-7423 Screening compound: N-tert-butyl-4-(prop-2-en-1-yloxy)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide

V016-7423 Screening compound: N-tert-butyl-4-(prop-2-en-1-yloxy)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide
V016-7423 Screening compound: N-tert-butyl-4-(prop-2-en-1-yloxy)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7423
N-tert-butyl-4-(prop-2-en-1-yloxy)-1-{[4-(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

V016-7423

Molecular Formula

C24H25F3N2O2 (C24 H25 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(c1cc(c(OCC=C)ccc2)c2n1Cc1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C24H25F3N2O2/c1-5-13-31-21-8-6-7-19-18(21)14-20(22(30)28-23(2,3)4)29(19)15-16-9-11-17(12-10-16)24(25,26)27/h5-12,14H,1,13,15H2,2-4H3,(H,28,30)

InChI Key

XYJMQOFYLDMSMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14247685

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

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.534

Distribution Coefficient, logD

6.534

Water Solubility, LogSw

-5.81

Polar Surface Area

31.706

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V016-7423 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 V016-7423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7423?
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What is the minimum amount of V016-7423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7423
  • 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 V016-7423 available by request