0671-0310 Screening compound: 3-[(5-tert-butyl-2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

0671-0310 Screening compound: 3-[(5-tert-butyl-2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
0671-0310 Screening compound: 3-[(5-tert-butyl-2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0671-0310
3-[(5-tert-butyl-2-methoxyphenyl)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

0671-0310

Molecular Formula

C20H25NO4 (C20 H25 NO4)

Compound Name

3-[(5-tert-butyl-2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

IUPAC name

3-[(5-tert-butyl-2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

SMILES

CC(C)(C)c(cc1)cc(NC(C(C2C=CC3C2)C3C(O)=O)=O)c1OC

InChI

InChI=1S/C20H25NO4/c1-20(2,3)13-7-8-15(25-4)14(10-13)21-18(22)16-11-5-6-12(9-11)17(16)19(23)24/h5-8,10-12,16-17H,9H2,1-4H3,(H,21,22)(H,23,24)

InChI Key

TVZRUOVCQGOWIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00969239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

1.501

Water Solubility, LogSw

-3.98

Polar Surface Area

59.515

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

0671-0310 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 0671-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0671-0310?
Check Price and Availability of 0671-0310, 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 0671-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0671-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0671-0310
  • 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 0671-0310 available by request