5241-0339 Screening compound: 1-(1-benzyl-1H-indol-3-yl)-2,2,2-trifluoroethan-1-one

5241-0339 Screening compound: 1-(1-benzyl-1H-indol-3-yl)-2,2,2-trifluoroethan-1-one
5241-0339 Screening compound: 1-(1-benzyl-1H-indol-3-yl)-2,2,2-trifluoroethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5241-0339
1-(1-benzyl-1H-indol-3-yl)-2,2,2-trifluoroethan-1-one

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

5241-0339

Molecular Formula

C17H12F3NO (C17 H12 F3 NO)

Compound Name

1-(1-benzyl-1H-indol-3-yl)-2,2,2-trifluoroethan-1-one

IUPAC name

1-(1-benzyl-1H-indol-3-yl)-222-trifluoroethan-1-one

SMILES

O=C(C(F)(F)F)c1cn(Cc2ccccc2)c2c1cccc2

InChI

InChI=1S/C17H12F3NO/c18-17(19,20)16(22)14-11-21(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2

InChI Key

FLIPGOAKSVPLIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03446387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.301

Distribution Coefficient, logD

4.301

Water Solubility, LogSw

-4.41

Polar Surface Area

15.709

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5241-0339 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5241-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5241-0339?
Check Price and Availability of 5241-0339, 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 5241-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5241-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5241-0339
  • 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 5241-0339 available by request