K208-0039 Screening compound: N-[2-(2-bromobenzoyl)-4-chlorophenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

K208-0039 Screening compound: N-[2-(2-bromobenzoyl)-4-chlorophenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
K208-0039 Screening compound: N-[2-(2-bromobenzoyl)-4-chlorophenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K208-0039
N-[2-(2-bromobenzoyl)-4-chlorophenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

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

K208-0039

Molecular Formula

C26H25BrClN3O2 (C26 H25 BrClN3 O2)

Compound Name

N-[2-(2-bromobenzoyl)-4-chlorophenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

IUPAC name

N-[2-(2-bromobenzoyl)-4-chlorophenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

SMILES

Cc1cccc(N2CCN(CC(Nc(ccc(Cl)c3)c3C(c(cccc3)c3Br)=O)=O)CC2)c1

InChI

InChI=1S/C26H25BrClN3O2/c1-18-5-4-6-20(15-18)31-13-11-30(12-14-31)17-25(32)29-24-10-9-19(28)16-22(24)26(33)21-7-2-3-8-23(21)27/h2-10,15-16H,11-14,17H2,1H3,(H,29,32)

InChI Key

MUJJSYDODGJDIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.064

Distribution Coefficient, logD

6.005

Water Solubility, LogSw

-5.98

Polar Surface Area

43.150

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K208-0039 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K208-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K208-0039?
Check Price and Availability of K208-0039, 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 K208-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K208-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K208-0039
  • 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 K208-0039 available by request