8013-2964 Screening compound: 1-(adamantan-1-yl)-4-(oct-2-yn-1-yl)piperazine

8013-2964 Screening compound: 1-(adamantan-1-yl)-4-(oct-2-yn-1-yl)piperazine
8013-2964 Screening compound: 1-(adamantan-1-yl)-4-(oct-2-yn-1-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2964
1-(adamantan-1-yl)-4-(oct-2-yn-1-yl)piperazine

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

8013-2964

Molecular Formula

C22H36N2 (C22 H36 N2)

Compound Name

1-(adamantan-1-yl)-4-(oct-2-yn-1-yl)piperazine

IUPAC name

1-(adamantan-1-yl)-4-(oct-2-yn-1-yl)piperazine

SMILES

CCCCCC#CCN(CC1)CCN1C1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C22H36N2/c1-2-3-4-5-6-7-8-23-9-11-24(12-10-23)22-16-19-13-20(17-22)15-21(14-19)18-22/h19-21H,2-5,8-18H2,1H3

InChI Key

PUJMPFBHEVPIJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.594

Distribution Coefficient, logD

5.483

Water Solubility, LogSw

-5.27

Polar Surface Area

7.173

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

90.90

8013-2964 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8013-2964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2964?
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What is the minimum amount of 8013-2964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2964
  • 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 8013-2964 available by request