3089-0247 Screening compound: (1R,7S)-4-(3-hydroxypropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

3089-0247 Screening compound: (1R,7S)-4-(3-hydroxypropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
3089-0247 Screening compound: (1R,7S)-4-(3-hydroxypropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3089-0247
(1R,7S)-4-(3-hydroxypropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

3089-0247

Molecular Formula

C12H15NO3 (C12 H15 NO3)

Compound Name

(1R,7S)-4-(3-hydroxypropyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

(1R7S)-4-(3-hydroxypropyl)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

OCCCN(C(C1C2[C@H]3C=C[C@@H]1C3)=O)C2=O

InChI

InChI=1S/C12H15NO3/c14-5-1-4-13-11(15)9-7-2-3-8(6-7)10(9)12(13)16/h2-3,7-10,14H,1,4-6H2/t7-,8-,9?,10?/m0/s1

InChI Key

LZZLQDMQTMMXCJ-DKEVHCRPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.080

Distribution Coefficient, logD

-0.080

Water Solubility, LogSw

-0.19

Polar Surface Area

47.242

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

-6.39

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

66.67

3089-0247 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3089-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3089-0247?
Check Price and Availability of 3089-0247, 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 3089-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3089-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3089-0247
  • 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 3089-0247 available by request