8019-3254 Screening compound: 2-cyclohexyl-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

8019-3254 Screening compound: 2-cyclohexyl-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole
8019-3254 Screening compound: 2-cyclohexyl-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3254
2-cyclohexyl-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

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

8019-3254

Molecular Formula

C16H18N2 (C16 H18 N2)

Compound Name

2-cyclohexyl-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

IUPAC name

2-cyclohexyl-1-(prop-2-yn-1-yl)-1H-13-benzodiazole

SMILES

C#CCn1c(cccc2)c2nc1C1CCCCC1

InChI

InChI=1S/C16H18N2/c1-2-12-18-15-11-7-6-10-14(15)17-16(18)13-8-4-3-5-9-13/h1,6-7,10-11,13H,3-5,8-9,12H2

InChI Key

OKZVEHICYDCVER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07359715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.33

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.48

Polar Surface Area

10.338

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8019-3254 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 8019-3254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3254?
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What is the minimum amount of 8019-3254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3254
  • 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 8019-3254 available by request