8005-2714 Screening compound: 1-[3-(diisopentylamino)-1-propynyl]-1-cyclohexanol

8005-2714 Screening compound: 1-[3-(diisopentylamino)-1-propynyl]-1-cyclohexanol
8005-2714 Screening compound: 1-[3-(diisopentylamino)-1-propynyl]-1-cyclohexanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2714
1-[3-(diisopentylamino)-1-propynyl]-1-cyclohexanol

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

8005-2714

Molecular Formula

C19H35NO (C19 H35 NO)

Compound Name

1-[3-(diisopentylamino)-1-propynyl]-1-cyclohexanol

IUPAC name

1-{3-[bis(3-methylbutyl)amino]prop-1-yn-1-yl}cyclohexan-1-ol

SMILES

CC(C)CCN(CCC(C)C)CC#CC1(CCCCC1)O

InChI

InChI=1S/C19H35NO/c1-17(2)9-15-20(16-10-18(3)4)14-8-13-19(21)11-6-5-7-12-19/h17-18,21H,5-7,9-12,14-16H2,1-4H3

InChI Key

IKPVPNIFWXVYDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00414512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.86

Polar Surface Area

19.922

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

89.47

8005-2714 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-2714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2714?
Check Price and Availability of 8005-2714, 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 8005-2714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2714
  • 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 8005-2714 available by request