1658-0106 Screening compound: 4-bromo-N-(4-chloro-2-propanoylphenyl)benzamide

1658-0106 Screening compound: 4-bromo-N-(4-chloro-2-propanoylphenyl)benzamide
1658-0106 Screening compound: 4-bromo-N-(4-chloro-2-propanoylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1658-0106
4-bromo-N-(4-chloro-2-propanoylphenyl)benzamide

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

1658-0106

Molecular Formula

C16H13BrClNO2 (C16 H13 BrClNO2)

Compound Name

4-bromo-N-(4-chloro-2-propanoylphenyl)benzamide

IUPAC name

4-bromo-N-(4-chloro-2-propanoylphenyl)benzamide

SMILES

CCC(c(cc(cc1)Cl)c1NC(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C16H13BrClNO2/c1-2-15(20)13-9-12(18)7-8-14(13)19-16(21)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H,19,21)

InChI Key

UUUGAUNGAVSWGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00561916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-4.65

Polar Surface Area

35.879

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1658-0106 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1658-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1658-0106?
Check Price and Availability of 1658-0106, 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 1658-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1658-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1658-0106
  • 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 1658-0106 available by request