8005-4189 Screening compound: prop-2-yn-1-yl 4-(octylcarbamoyl)butanoate

8005-4189 Screening compound: prop-2-yn-1-yl 4-(octylcarbamoyl)butanoate
8005-4189 Screening compound: prop-2-yn-1-yl 4-(octylcarbamoyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4189
prop-2-yn-1-yl 4-(octylcarbamoyl)butanoate

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

8005-4189

Molecular Formula

C16H27NO3 (C16 H27 NO3)

Compound Name

prop-2-yn-1-yl 4-(octylcarbamoyl)butanoate

IUPAC name

prop-2-yn-1-yl 4-(octylcarbamoyl)butanoate

SMILES

CCCCCCCCNC(CCCC(OCC#C)=O)=O

InChI

InChI=1S/C16H27NO3/c1-3-5-6-7-8-9-13-17-15(18)11-10-12-16(19)20-14-4-2/h2H,3,5-14H2,1H3,(H,17,18)

InChI Key

XQPYOEPCKGVDOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-3.01

Polar Surface Area

45.276

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

8005-4189 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-4189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4189?
Check Price and Availability of 8005-4189, 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 8005-4189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4189
  • 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 8005-4189 available by request