K801-0146 Screening compound: ethyl 4-(2-{[(4-methoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-amido)benzoate

K801-0146 Screening compound: ethyl 4-(2-{[(4-methoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-amido)benzoate
K801-0146 Screening compound: ethyl 4-(2-{[(4-methoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0146
ethyl 4-(2-{[(4-methoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-amido)benzoate

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

K801-0146

Molecular Formula

C25H26N2O4S (C25 H26 N2 O4 S)

Compound Name

ethyl 4-(2-{[(4-methoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-amido)benzoate

IUPAC name

ethyl 4-(2-{[(4-methoxyphenyl)methyl]amino}-4H5H6H-cyclopenta[b]thiophene-3-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1c(NCc(cc2)ccc2OC)sc2c1CCC2)=O)=O

InChI

InChI=1S/C25H26N2O4S/c1-3-31-25(29)17-9-11-18(12-10-17)27-23(28)22-20-5-4-6-21(20)32-24(22)26-15-16-7-13-19(30-2)14-8-16/h7-14,26H,3-6,15H2,1-2H3,(H,27,28)

InChI Key

DKKSRJLEAJTRDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-5.47

Polar Surface Area

61.943

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K801-0146 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K801-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0146?
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What is the minimum amount of K801-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0146
  • 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 K801-0146 available by request