8009-8094 Screening compound: 3-[(5-carboxy-2-methylanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid

8009-8094 Screening compound: 3-[(5-carboxy-2-methylanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
8009-8094 Screening compound: 3-[(5-carboxy-2-methylanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8094
3-[(5-carboxy-2-methylanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic 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

8009-8094

Molecular Formula

C17H19NO5 (C17 H19 NO5)

Compound Name

3-[(5-carboxy-2-methylanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid

IUPAC name

3-[(5-carboxy-2-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

SMILES

Cc(ccc(C(O)=O)c1)c1NC(C(C1CC2CC1)C2C(O)=O)=O

InChI

InChI=1S/C17H19NO5/c1-8-2-3-11(16(20)21)7-12(8)18-15(19)13-9-4-5-10(6-9)14(13)17(22)23/h2-3,7,9-10,13-14H,4-6H2,1H3,(H,18,19)(H,20,21)(H,22,23)

InChI Key

PXQIGKWTPGQAPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01576718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

-0.310

Water Solubility, LogSw

-2.62

Polar Surface Area

80.293

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with 8009-8094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8094?
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What is the minimum amount of 8009-8094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8094
  • 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 8009-8094 available by request