8014-6312 Screening compound: 2-[3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetonitrile

8014-6312 Screening compound: 2-[3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetonitrile
8014-6312 Screening compound: 2-[3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6312
2-[3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetonitrile

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

8014-6312

Molecular Formula

C12H7F3N2O (C12 H7 F3 N2 O)

Compound Name

2-[3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetonitrile

IUPAC name

2-[3-(222-trifluoroacetyl)-1H-indol-1-yl]acetonitrile

SMILES

N#CCn1c(cccc2)c2c(C(C(F)(F)F)=O)c1

InChI

InChI=1S/C12H7F3N2O/c13-12(14,15)11(18)9-7-17(6-5-16)10-4-2-1-3-8(9)10/h1-4,7H,6H2

InChI Key

XSXULUVUGYFFHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03270653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-2.72

Polar Surface Area

33.451

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

-7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8014-6312 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiparasite Library (23996 compounds)

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8014-6312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6312?
Check Price and Availability of 8014-6312, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-6312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6312
  • 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 8014-6312 available by request