2072-0658 Screening compound: N-(4-benzamido-3-bromophenyl)-3-propoxybenzamide

2072-0658 Screening compound: N-(4-benzamido-3-bromophenyl)-3-propoxybenzamide
2072-0658 Screening compound: N-(4-benzamido-3-bromophenyl)-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2072-0658
N-(4-benzamido-3-bromophenyl)-3-propoxybenzamide

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

2072-0658

Molecular Formula

C23H21BrN2O3 (C23 H21 BrN2 O3)

Compound Name

N-(4-benzamido-3-bromophenyl)-3-propoxybenzamide

IUPAC name

N-(4-benzamido-3-bromophenyl)-3-propoxybenzamide

SMILES

CCCOc1cccc(C(Nc(cc2)cc(Br)c2NC(c2ccccc2)=O)=O)c1

InChI

InChI=1S/C23H21BrN2O3/c1-2-13-29-19-10-6-9-17(14-19)23(28)25-18-11-12-21(20(24)15-18)26-22(27)16-7-4-3-5-8-16/h3-12,14-15H,2,13H2,1H3,(H,25,28)(H,26,27)

InChI Key

XBNSWSFTZJJKRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.40

Polar Surface Area

53.141

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

2072-0658 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Proline Kinase Library (2105 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2072-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2072-0658?
Check Price and Availability of 2072-0658, 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 2072-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2072-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2072-0658
  • 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 2072-0658 available by request