2054-0076 Screening compound: 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

2054-0076 Screening compound: 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
2054-0076 Screening compound: 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0076
3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-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

2054-0076

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

IUPAC name

3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

SMILES

CC(c(cc1)ccc1NC(C(C1C=CC2C1)C2C(O)=O)=O)=O

InChI

InChI=1S/C17H17NO4/c1-9(19)10-4-6-13(7-5-10)18-16(20)14-11-2-3-12(8-11)15(14)17(21)22/h2-7,11-12,14-15H,8H2,1H3,(H,18,20)(H,21,22)

InChI Key

BZCOJKQCVCRIOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00679860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

-0.641

Water Solubility, LogSw

-2.08

Polar Surface Area

66.409

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 2054-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0076?
Check Price and Availability of 2054-0076, 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 2054-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0076
  • 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 2054-0076 available by request