V013-6699 Screening compound: N-hexyl-3-(1-methyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

V013-6699 Screening compound: N-hexyl-3-(1-methyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
V013-6699 Screening compound: N-hexyl-3-(1-methyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6699
N-hexyl-3-(1-methyl-1H-indol-3-yl)-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

V013-6699

Molecular Formula

C25H29F3N2O (C25 H29 F3 N2 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCNC(CC(c1cn(C)c2c1cccc2)c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C25H29F3N2O/c1-3-4-5-8-14-29-24(31)16-21(18-10-9-11-19(15-18)25(26,27)28)22-17-30(2)23-13-7-6-12-20(22)23/h6-7,9-13,15,17,21H,3-5,8,14,16H2,1-2H3,(H,29,31)/t21-/m1/s1

InChI Key

AJNLFJCNYVWLGE-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19852233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.127

Distribution Coefficient, logD

6.127

Water Solubility, LogSw

-5.65

Polar Surface Area

26.839

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V013-6699 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 V013-6699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6699?
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What is the minimum amount of V013-6699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6699
  • 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 V013-6699 available by request