5241-0376 Screening compound: methyl 2-[3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetate

5241-0376 Screening compound: methyl 2-[3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetate
5241-0376 Screening compound: methyl 2-[3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5241-0376
methyl 2-[3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetate

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

5241-0376

Molecular Formula

C13H10F3NO3 (C13 H10 F3 NO3)

Compound Name

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

IUPAC name

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

SMILES

COC(Cn1c(cccc2)c2c(C(C(F)(F)F)=O)c1)=O

InChI

InChI=1S/C13H10F3NO3/c1-20-11(18)7-17-6-9(12(19)13(14,15)16)8-4-2-3-5-10(8)17/h2-6H,7H2,1H3

InChI Key

FINAYYKHVPYYIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03446391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.313

Distribution Coefficient, logD

2.313

Water Solubility, LogSw

-2.66

Polar Surface Area

36.560

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5241-0376 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5241-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5241-0376?
Check Price and Availability of 5241-0376, 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 5241-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5241-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5241-0376
  • 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 5241-0376 available by request