8002-4947 Screening compound: 5-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)isophthalic acid

8002-4947 Screening compound: 5-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)isophthalic acid
8002-4947 Screening compound: 5-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)isophthalic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4947
5-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)isophthalic 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

8002-4947

Molecular Formula

C17H13NO6 (C17 H13 NO6)

Compound Name

5-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)isophthalic acid

IUPAC name

5-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}benzene-13-dicarboxylic acid

SMILES

OC(c1cc(N(C(C2C3C4C=CC2C4)=O)C3=O)cc(C(O)=O)c1)=O

InChI

InChI=1S/C17H13NO6/c19-14-12-7-1-2-8(3-7)13(12)15(20)18(14)11-5-9(16(21)22)4-10(6-11)17(23)24/h1-2,4-8,12-13H,3H2,(H,21,22)(H,23,24)

InChI Key

JOQBGFKVMFUNCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00385432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.479

Distribution Coefficient, logD

-1.688

Water Solubility, LogSw

-1.58

Polar Surface Area

86.541

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

-8.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with 8002-4947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4947?
Check Price and Availability of 8002-4947, 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 8002-4947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4947
  • 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 8002-4947 available by request