6415-0386 Screening compound: ethyl 4-{2-[5-bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamido}benzoate

6415-0386 Screening compound: ethyl 4-{2-[5-bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamido}benzoate
6415-0386 Screening compound: ethyl 4-{2-[5-bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-0386
ethyl 4-{2-[5-bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamido}benzoate

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

6415-0386

Molecular Formula

C21H16BrF3N2O4 (C21 H16 BrF3 N2 O4)

Compound Name

ethyl 4-{2-[5-bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[5-bromo-3-(222-trifluoroacetyl)-1H-indol-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn1c(ccc(Br)c2)c2c(C(C(F)(F)F)=O)c1)=O)=O

InChI

InChI=1S/C21H16BrF3N2O4/c1-2-31-20(30)12-3-6-14(7-4-12)26-18(28)11-27-10-16(19(29)21(23,24)25)15-9-13(22)5-8-17(15)27/h3-10H,2,11H2,1H3,(H,26,28)

InChI Key

BBHOKGVQFDSBFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03928355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.350

Distribution Coefficient, logD

5.349

Water Solubility, LogSw

-5.48

Polar Surface Area

59.612

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

6415-0386 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6415-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-0386?
Check Price and Availability of 6415-0386, 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 6415-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-0386
  • 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 6415-0386 available by request