5991-0501 Screening compound: ethyl 5-(cyclopentylcarbamoyl)-2-(2-methoxybenzamido)-4-methylthiophene-3-carboxylate

5991-0501 Screening compound: ethyl 5-(cyclopentylcarbamoyl)-2-(2-methoxybenzamido)-4-methylthiophene-3-carboxylate
5991-0501 Screening compound: ethyl 5-(cyclopentylcarbamoyl)-2-(2-methoxybenzamido)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5991-0501
ethyl 5-(cyclopentylcarbamoyl)-2-(2-methoxybenzamido)-4-methylthiophene-3-carboxylate

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

5991-0501

Molecular Formula

C22H26N2O5S (C22 H26 N2 O5 S)

Compound Name

ethyl 5-(cyclopentylcarbamoyl)-2-(2-methoxybenzamido)-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-(cyclopentylcarbamoyl)-2-(2-methoxybenzamido)-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cccc2)c2OC)=O)sc(C(NC2CCCC2)=O)c1C)=O

InChI

InChI=1S/C22H26N2O5S/c1-4-29-22(27)17-13(2)18(20(26)23-14-9-5-6-10-14)30-21(17)24-19(25)15-11-7-8-12-16(15)28-3/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,23,26)(H,24,25)

InChI Key

RYMIWNYZMBHTMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03312526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

-1.269

Water Solubility, LogSw

-4.25

Polar Surface Area

76.013

Acid Dissociation Constant (pKa)

2.35

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

5991-0501 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5991-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5991-0501?
Check Price and Availability of 5991-0501, 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 5991-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5991-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5991-0501
  • 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 5991-0501 available by request