8014-1569 Screening compound: butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate

8014-1569 Screening compound: butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate
8014-1569 Screening compound: butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1569
butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate

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

8014-1569

Molecular Formula

C13H20N2O3 (C13 H20 N2 O3)

Compound Name

butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate

IUPAC name

butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate

SMILES

CCCCOC(C1N(CC2)CCC2C1(C#N)O)=O

InChI

InChI=1S/C13H20N2O3/c1-2-3-8-18-12(16)11-13(17,9-14)10-4-6-15(11)7-5-10/h10-11,17H,2-8H2,1H3

InChI Key

NYHNBIBTPQVROL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.504

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-1.18

Polar Surface Area

57.281

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

84.61

8014-1569 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8014-1569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1569?
Check Price and Availability of 8014-1569, 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 8014-1569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1569
  • 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 8014-1569 available by request