3237-0696 Screening compound: 4-(4-methoxyphenyl)-2-pentanamidothiophene-3-carboxylic acid

3237-0696 Screening compound: 4-(4-methoxyphenyl)-2-pentanamidothiophene-3-carboxylic acid
3237-0696 Screening compound: 4-(4-methoxyphenyl)-2-pentanamidothiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0696
4-(4-methoxyphenyl)-2-pentanamidothiophene-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

3237-0696

Molecular Formula

C17H19NO4S (C17 H19 NO4 S)

Compound Name

4-(4-methoxyphenyl)-2-pentanamidothiophene-3-carboxylic acid

IUPAC name

4-(4-methoxyphenyl)-2-pentanamidothiophene-3-carboxylic acid

SMILES

CCCCC(Nc1c(C(O)=O)c(-c(cc2)ccc2OC)cs1)=O

InChI

InChI=1S/C17H19NO4S/c1-3-4-5-14(19)18-16-15(17(20)21)13(10-23-16)11-6-8-12(22-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21)

InChI Key

HRJGAHMZYHEKBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01831100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

-0.060

Water Solubility, LogSw

-3.96

Polar Surface Area

58.862

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3237-0696 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3237-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0696?
Check Price and Availability of 3237-0696, 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 3237-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0696
  • 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 3237-0696 available by request