4075-3166 Screening compound: 3-[4-(dibutylamino)but-2-yn-1-yl]-5-(propoxymethyl)oxolan-2-one

4075-3166 Screening compound: 3-[4-(dibutylamino)but-2-yn-1-yl]-5-(propoxymethyl)oxolan-2-one
4075-3166 Screening compound: 3-[4-(dibutylamino)but-2-yn-1-yl]-5-(propoxymethyl)oxolan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3166
3-[4-(dibutylamino)but-2-yn-1-yl]-5-(propoxymethyl)oxolan-2-one

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

4075-3166

Molecular Formula

C20H35NO3 (C20 H35 NO3)

Compound Name

3-[4-(dibutylamino)but-2-yn-1-yl]-5-(propoxymethyl)oxolan-2-one

IUPAC name

3-[4-(dibutylamino)but-2-yn-1-yl]-5-(propoxymethyl)oxolan-2-one

SMILES

CCCCN(CCCC)CC#CCC(CC(COCCC)O1)C1=O

InChI

InChI=1S/C20H35NO3/c1-4-7-12-21(13-8-5-2)14-10-9-11-18-16-19(24-20(18)22)17-23-15-6-3/h18-19H,4-8,11-17H2,1-3H3

InChI Key

OYSUYIZQIXLHMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00386753

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

337.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-3.61

Polar Surface Area

34.214

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

7.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

85.00

4075-3166 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4075-3166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3166?
Check Price and Availability of 4075-3166, 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 4075-3166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3166
  • 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 4075-3166 available by request