6402-0081 Screening compound: N'-[(1Z,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-1-ylidene]pyridine-4-carbohydrazide

6402-0081 Screening compound: N'-[(1Z,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-1-ylidene]pyridine-4-carbohydrazide
6402-0081 Screening compound: N'-[(1Z,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-1-ylidene]pyridine-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6402-0081
N'-[(1Z,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-1-ylidene]pyridine-4-carbohydrazide

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

6402-0081

Molecular Formula

C20H27N3O (C20 H27 N3 O)

Compound Name

N'-[(1Z,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-1-ylidene]pyridine-4-carbohydrazide

IUPAC name

N'-[(1Z3E)-2-methyl-4-(266-trimethylcyclohex-1-en-1-yl)but-3-en-1-ylidene]pyridine-4-carbohydrazide

SMILES

CC(/C=C/C1=C(C)CCCC1(C)C)/C=N\NC(c1ccncc1)=O

InChI

InChI=1S/C20H27N3O/c1-15(7-8-18-16(2)6-5-11-20(18,3)4)14-22-23-19(24)17-9-12-21-13-10-17/h7-10,12-15H,5-6,11H2,1-4H3,(H,23,24)/b8-7+,22-14?/t15-/m0/s1

InChI Key

UUNOZDXWBGFWMC-JBIONSSUSA-N

MDL Number (MFCD)

MFCD14711667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-3.92

Polar Surface Area

45.175

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

6402-0081 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6402-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6402-0081?
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What is the minimum amount of 6402-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6402-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6402-0081
  • 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 6402-0081 available by request