5545-0047 Screening compound: 2-cyano-N'-[(4Z)-1,2,5-trimethylpiperidin-4-ylidene]acetohydrazide

5545-0047 Screening compound: 2-cyano-N'-[(4Z)-1,2,5-trimethylpiperidin-4-ylidene]acetohydrazide
5545-0047 Screening compound: 2-cyano-N'-[(4Z)-1,2,5-trimethylpiperidin-4-ylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5545-0047
2-cyano-N'-[(4Z)-1,2,5-trimethylpiperidin-4-ylidene]acetohydrazide

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

5545-0047

Molecular Formula

C11H18N4O (C11 H18 N4 O)

Compound Name

2-cyano-N'-[(4Z)-1,2,5-trimethylpiperidin-4-ylidene]acetohydrazide

IUPAC name

2-cyano-N'-[(4Z)-125-trimethylpiperidin-4-ylidene]acetohydrazide

SMILES

CC(CN(C)C(C)C1)/C1=N\NC(CC#N)=O

InChI

InChI=1S/C11H18N4O/c1-8-7-15(3)9(2)6-10(8)13-14-11(16)4-5-12/h8-9H,4,6-7H2,1-3H3,(H,14,16)

InChI Key

BVTYFBFFNMPTEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.352

Distribution Coefficient, logD

-1.287

Water Solubility, LogSw

-1.01

Polar Surface Area

55.509

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.70

5545-0047 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5545-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5545-0047?
Check Price and Availability of 5545-0047, 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 5545-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5545-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5545-0047
  • 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 5545-0047 available by request