0394-0810 Screening compound: ethyl 5-bromo-3-phenyl-1H-indole-2-carboxylate

0394-0810 Screening compound: ethyl 5-bromo-3-phenyl-1H-indole-2-carboxylate
0394-0810 Screening compound: ethyl 5-bromo-3-phenyl-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0394-0810
ethyl 5-bromo-3-phenyl-1H-indole-2-carboxylate

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

0394-0810

Molecular Formula

C17H14BrNO2 (C17 H14 BrNO2)

Compound Name

ethyl 5-bromo-3-phenyl-1H-indole-2-carboxylate

IUPAC name

ethyl 5-bromo-3-phenyl-1H-indole-2-carboxylate

SMILES

CCOC(c([nH]c(cc1)c2cc1Br)c2-c1ccccc1)=O

InChI

InChI=1S/C17H14BrNO2/c1-2-21-17(20)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,19H,2H2,1H3

InChI Key

LAQGUIOKBUYJOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00411468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.727

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.74

Polar Surface Area

30.840

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0394-0810 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0394-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0394-0810?
Check Price and Availability of 0394-0810, 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 0394-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0394-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0394-0810
  • 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 0394-0810 available by request