K788-3447 Screening compound: 1,4-bis[2-chloro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione

K788-3447 Screening compound: 1,4-bis[2-chloro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione
K788-3447 Screening compound: 1,4-bis[2-chloro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3447
1,4-bis[2-chloro-5-(trifluoromethyl)phenyl]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

K788-3447

Molecular Formula

C18H10Cl2F6N2O2 (C18 H10 Cl2 F6 N2 O2)

Compound Name

1,4-bis[2-chloro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione

IUPAC name

14-bis[2-chloro-5-(trifluoromethyl)phenyl]piperazine-25-dione

SMILES

O=C(CN(C(C1)=O)c(cc(C(F)(F)F)cc2)c2Cl)N1c(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C18H10Cl2F6N2O2/c19-11-3-1-9(17(21,22)23)5-13(11)27-7-16(30)28(8-15(27)29)14-6-10(18(24,25)26)2-4-12(14)20/h1-6H,7-8H2

InChI Key

BOTSXWNGUWHKJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05815931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.480

Water Solubility, LogSw

-4.60

Polar Surface Area

32.212

Acid Dissociation Constant (pKa)

20.52

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K788-3447 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-3447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3447?
Check Price and Availability of K788-3447, 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 K788-3447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3447
  • 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 K788-3447 available by request