K788-3455 Screening compound: 1,4-bis(3-chloro-2-methylphenyl)piperazine-2,5-dione

K788-3455 Screening compound: 1,4-bis(3-chloro-2-methylphenyl)piperazine-2,5-dione
K788-3455 Screening compound: 1,4-bis(3-chloro-2-methylphenyl)piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3455
1,4-bis(3-chloro-2-methylphenyl)piperazine-2,5-dione

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

K788-3455

Molecular Formula

C18H16Cl2N2O2 (C18 H16 Cl2 N2 O2)

Compound Name

1,4-bis(3-chloro-2-methylphenyl)piperazine-2,5-dione

IUPAC name

14-bis(3-chloro-2-methylphenyl)piperazine-25-dione

SMILES

Cc(c(Cl)ccc1)c1N(CC(N(C1)c2cccc(Cl)c2C)=O)C1=O

InChI

InChI=1S/C18H16Cl2N2O2/c1-11-13(19)5-3-7-15(11)21-9-18(24)22(10-17(21)23)16-8-4-6-14(20)12(16)2/h3-8H,9-10H2,1-2H3

InChI Key

XDAOCUBAPVHHQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-4.06

Polar Surface Area

32.212

Acid Dissociation Constant (pKa)

20.13

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K788-3455 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K788-3455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3455?
Check Price and Availability of K788-3455, 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 K788-3455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3455
  • 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 K788-3455 available by request