2271-0379 Screening compound: 4-methyl-1-(morpholin-4-yl)oct-7-en-2-yn-4-yl acetate

2271-0379 Screening compound: 4-methyl-1-(morpholin-4-yl)oct-7-en-2-yn-4-yl acetate
2271-0379 Screening compound: 4-methyl-1-(morpholin-4-yl)oct-7-en-2-yn-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2271-0379
4-methyl-1-(morpholin-4-yl)oct-7-en-2-yn-4-yl acetate

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

2271-0379

Molecular Formula

C15H23NO3 (C15 H23 NO3)

Compound Name

4-methyl-1-(morpholin-4-yl)oct-7-en-2-yn-4-yl acetate

IUPAC name

4-methyl-1-(morpholin-4-yl)oct-7-en-2-yn-4-yl acetate

SMILES

CC(CCC=C)(C#CCN1CCOCC1)OC(C)=O

InChI

InChI=1S/C15H23NO3/c1-4-5-7-15(3,19-14(2)17)8-6-9-16-10-12-18-13-11-16/h4H,1,5,7,9-13H2,2-3H3/t15-/m0/s1

InChI Key

FGHOPKUIBOZFDR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00977472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.091

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-1.93

Polar Surface Area

31.861

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

2271-0379 in Drug Discovery

Included in Screening Libraries

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 2271-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2271-0379?
Check Price and Availability of 2271-0379, 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 2271-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2271-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2271-0379
  • 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 2271-0379 available by request