8014-1710 Screening compound: 2-[(1-{4-[1-(3-nitrilopropoxy)cyclohexyl]-1,3-butadiynyl}cyclohexyl)oxy]ethyl cyanide

8014-1710 Screening compound: 2-[(1-{4-[1-(3-nitrilopropoxy)cyclohexyl]-1,3-butadiynyl}cyclohexyl)oxy]ethyl cyanide
8014-1710 Screening compound: 2-[(1-{4-[1-(3-nitrilopropoxy)cyclohexyl]-1,3-butadiynyl}cyclohexyl)oxy]ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1710
2-[(1-{4-[1-(3-nitrilopropoxy)cyclohexyl]-1,3-butadiynyl}cyclohexyl)oxy]ethyl cyanide

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

8014-1710

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

2-[(1-{4-[1-(3-nitrilopropoxy)cyclohexyl]-1,3-butadiynyl}cyclohexyl)oxy]ethyl cyanide

IUPAC name

3-[(1-{4-[1-(2-cyanoethoxy)cyclohexyl]buta-13-diyn-1-yl}cyclohexyl)oxy]propanenitrile

SMILES

N#CCCOC1(CCCCC1)C#CC#CC1(CCCCC1)OCCC#N

InChI

InChI=1S/C22H28N2O2/c23-17-9-19-25-21(11-3-1-4-12-21)15-7-8-16-22(26-20-10-18-24)13-5-2-6-14-22/h1-6,9-14,19-20H2

InChI Key

FLCZOGMKGIROKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

4.268

Water Solubility, LogSw

-4.12

Polar Surface Area

47.825

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.73

8014-1710 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 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

References: we are preparing a list of scientific research reports with 8014-1710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1710?
Check Price and Availability of 8014-1710, 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 8014-1710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1710
  • 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 8014-1710 available by request