3237-0694 Screening compound: 4-{[1,1'-biphenyl]-4-yl}-2-(2,2-dimethylpropanamido)thiophene-3-carboxylic acid

3237-0694 Screening compound: 4-{[1,1'-biphenyl]-4-yl}-2-(2,2-dimethylpropanamido)thiophene-3-carboxylic acid
3237-0694 Screening compound: 4-{[1,1'-biphenyl]-4-yl}-2-(2,2-dimethylpropanamido)thiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0694
4-{[1,1'-biphenyl]-4-yl}-2-(2,2-dimethylpropanamido)thiophene-3-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

3237-0694

Molecular Formula

C22H21NO3S (C22 H21 NO3 S)

Compound Name

4-{[1,1'-biphenyl]-4-yl}-2-(2,2-dimethylpropanamido)thiophene-3-carboxylic acid

IUPAC name

4-{[11'-biphenyl]-4-yl}-2-(22-dimethylpropanamido)thiophene-3-carboxylic acid

SMILES

CC(C)(C)C(Nc1c(C(O)=O)c(-c(cc2)ccc2-c2ccccc2)cs1)=O

InChI

InChI=1S/C22H21NO3S/c1-22(2,3)21(26)23-19-18(20(24)25)17(13-27-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,26)(H,24,25)

InChI Key

NQVVDJURICIZGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00838711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.282

Distribution Coefficient, logD

1.605

Water Solubility, LogSw

-5.33

Polar Surface Area

51.261

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-8.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3237-0694 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3237-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0694?
Check Price and Availability of 3237-0694, 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 3237-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0694
  • 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 3237-0694 available by request