5089-0338 Screening compound: 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoic acid

5089-0338 Screening compound: 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoic acid
5089-0338 Screening compound: 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5089-0338
3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoic acid

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

5089-0338

Molecular Formula

C12H13Br2NO4 (C12 H13 Br2 NO4)

Compound Name

3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoic acid

IUPAC name

3-{89-dibromo-35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}propanoic acid

SMILES

OC(CCN(C(C(C(C1)C2Br)C3C1C2Br)=O)C3=O)=O

InChI

InChI=1S/C12H13Br2NO4/c13-9-4-3-5(10(9)14)8-7(4)11(18)15(12(8)19)2-1-6(16)17/h4-5,7-10H,1-3H2,(H,16,17)

InChI Key

FHBPPJNBSKRQRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.123

Distribution Coefficient, logD

-2.409

Water Solubility, LogSw

-0.59

Polar Surface Area

58.970

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-5.98

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

75.00

5089-0338 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5089-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5089-0338?
Check Price and Availability of 5089-0338, 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 5089-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5089-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5089-0338
  • 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 5089-0338 available by request