1683-6912 Screening compound: 2,3-dibromo-N-(2-ethoxyphenyl)-3-phenylpropanamide

1683-6912 Screening compound: 2,3-dibromo-N-(2-ethoxyphenyl)-3-phenylpropanamide
1683-6912 Screening compound: 2,3-dibromo-N-(2-ethoxyphenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6912
2,3-dibromo-N-(2-ethoxyphenyl)-3-phenylpropanamide

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

1683-6912

Molecular Formula

C17H17Br2NO2 (C17 H17 Br2 NO2)

Compound Name

2,3-dibromo-N-(2-ethoxyphenyl)-3-phenylpropanamide

IUPAC name

23-dibromo-N-(2-ethoxyphenyl)-3-phenylpropanamide

SMILES

CCOc(cccc1)c1NC(C(C(c1ccccc1)Br)Br)=O

InChI

InChI=1S/C17H17Br2NO2/c1-2-22-14-11-7-6-10-13(14)20-17(21)16(19)15(18)12-8-4-3-5-9-12/h3-11,15-16H,2H2,1H3,(H,20,21)

InChI Key

IGHIAAJITUCUCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00092137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.14

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.111

Water Solubility, LogSw

-4.97

Polar Surface Area

29.842

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

1683-6912 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1683-6912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6912?
Check Price and Availability of 1683-6912, 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 1683-6912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6912
  • 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 1683-6912 available by request