C151-0642 Screening compound: (2Z,6E)-4-tert-butyl-2,6-bis[(pyridin-2-yl)methylidene]cyclohexan-1-one

C151-0642 Screening compound: (2Z,6E)-4-tert-butyl-2,6-bis[(pyridin-2-yl)methylidene]cyclohexan-1-one
C151-0642 Screening compound: (2Z,6E)-4-tert-butyl-2,6-bis[(pyridin-2-yl)methylidene]cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0642
(2Z,6E)-4-tert-butyl-2,6-bis[(pyridin-2-yl)methylidene]cyclohexan-1-one

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

C151-0642

Molecular Formula

C22H24N2O (C22 H24 N2 O)

Compound Name

(2Z,6E)-4-tert-butyl-2,6-bis[(pyridin-2-yl)methylidene]cyclohexan-1-one

IUPAC name

(2Z6E)-4-tert-butyl-26-bis[(pyridin-2-yl)methylidene]cyclohexan-1-one

SMILES

CC(C)(C)C(C/C(/C1=O)=C\c2ncccc2)C/C1=C/c1ncccc1

InChI

InChI=1S/C22H24N2O/c1-22(2,3)18-12-16(14-19-8-4-6-10-23-19)21(25)17(13-18)15-20-9-5-7-11-24-20/h4-11,14-15,18H,12-13H2,1-3H3

InChI Key

LSJAFGPDIQTRTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.331

Water Solubility, LogSw

-4.33

Polar Surface Area

32.120

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C151-0642 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C151-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0642?
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What is the minimum amount of C151-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0642
  • 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 C151-0642 available by request