0896-4929 Screening compound: 4-(4-bromophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

0896-4929 Screening compound: 4-(4-bromophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
0896-4929 Screening compound: 4-(4-bromophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-4929
4-(4-bromophenyl)-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

0896-4929

Molecular Formula

C15H12BrNO2 (C15 H12 BrNO2)

Compound Name

4-(4-bromophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(4-bromophenyl)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(C(C1C=CC2C1)C2C1=O)N1c(cc1)ccc1Br

InChI

InChI=1S/C15H12BrNO2/c16-10-3-5-11(6-4-10)17-14(18)12-8-1-2-9(7-8)13(12)15(17)19/h1-6,8-9,12-13H,7H2

InChI Key

DCASHLNTJZUDDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00431584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-2.50

Polar Surface Area

29.725

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.30

0896-4929 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0896-4929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-4929?
Check Price and Availability of 0896-4929, 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 0896-4929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-4929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-4929
  • 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 0896-4929 available by request