8003-8562 Screening compound: prop-2-yn-1-yl 3-(octylcarbamoyl)propanoate

8003-8562 Screening compound: prop-2-yn-1-yl 3-(octylcarbamoyl)propanoate
8003-8562 Screening compound: prop-2-yn-1-yl 3-(octylcarbamoyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8562
prop-2-yn-1-yl 3-(octylcarbamoyl)propanoate

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

8003-8562

Molecular Formula

C15H25NO3 (C15 H25 NO3)

Compound Name

prop-2-yn-1-yl 3-(octylcarbamoyl)propanoate

IUPAC name

prop-2-yn-1-yl 3-(octylcarbamoyl)propanoate

SMILES

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

InChI

InChI=1S/C15H25NO3/c1-3-5-6-7-8-9-12-16-14(17)10-11-15(18)19-13-4-2/h2H,3,5-13H2,1H3,(H,16,17)

InChI Key

LBBKQLFQMURGMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00543096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-2.99

Polar Surface Area

45.276

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

8003-8562 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 8003-8562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8562?
Check Price and Availability of 8003-8562, 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 8003-8562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8562
  • 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 8003-8562 available by request