8001-7022 Screening compound: prop-2-yn-1-yl 2-(octylcarbamoyl)benzoate

8001-7022 Screening compound: prop-2-yn-1-yl 2-(octylcarbamoyl)benzoate
8001-7022 Screening compound: prop-2-yn-1-yl 2-(octylcarbamoyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-7022
prop-2-yn-1-yl 2-(octylcarbamoyl)benzoate

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

8001-7022

Molecular Formula

C19H25NO3 (C19 H25 NO3)

Compound Name

prop-2-yn-1-yl 2-(octylcarbamoyl)benzoate

IUPAC name

prop-2-yn-1-yl 2-(octylcarbamoyl)benzoate

SMILES

CCCCCCCCNC(c(cccc1)c1C(OCC#C)=O)=O

InChI

InChI=1S/C19H25NO3/c1-3-5-6-7-8-11-14-20-18(21)16-12-9-10-13-17(16)19(22)23-15-4-2/h2,9-10,12-13H,3,5-8,11,14-15H2,1H3,(H,20,21)

InChI Key

MQTUWOFPAHLUFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00543100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.507

Water Solubility, LogSw

-4.61

Polar Surface Area

45.813

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

8001-7022 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8001-7022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-7022?
Check Price and Availability of 8001-7022, 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 8001-7022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-7022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-7022
  • 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 8001-7022 available by request