2054-0169 Screening compound: 8,9-dibromo-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

2054-0169 Screening compound: 8,9-dibromo-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
2054-0169 Screening compound: 8,9-dibromo-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0169
8,9-dibromo-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-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

2054-0169

Molecular Formula

C15H13Br2NO3 (C15 H13 Br2 NO3)

Compound Name

8,9-dibromo-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

IUPAC name

89-dibromo-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.0^{26}]decane-35-dione

SMILES

Oc(cc1)ccc1N(C(C(C(C1)C2Br)C3C1C2Br)=O)C3=O

InChI

InChI=1S/C15H13Br2NO3/c16-12-8-5-9(13(12)17)11-10(8)14(20)18(15(11)21)6-1-3-7(19)4-2-6/h1-4,8-13,19H,5H2

InChI Key

LNAWIYSKRBXEHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00418237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.814

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-1.98

Polar Surface Area

47.342

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

46.70

2054-0169 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2054-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0169?
Check Price and Availability of 2054-0169, 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 2054-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0169
  • 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 2054-0169 available by request