K801-0142 Screening compound: ethyl 4-(2-{[(3-fluorophenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-amido)benzoate

K801-0142 Screening compound: ethyl 4-(2-{[(3-fluorophenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-amido)benzoate
K801-0142 Screening compound: ethyl 4-(2-{[(3-fluorophenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0142
ethyl 4-(2-{[(3-fluorophenyl)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

K801-0142

Molecular Formula

C24H23FN2O3S (C24 H23 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(c1c(NCc2cc(F)ccc2)sc2c1CCC2)=O)=O

InChI

InChI=1S/C24H23FN2O3S/c1-2-30-24(29)16-9-11-18(12-10-16)27-22(28)21-19-7-4-8-20(19)31-23(21)26-14-15-5-3-6-17(25)13-15/h3,5-6,9-13,26H,2,4,7-8,14H2,1H3,(H,27,28)

InChI Key

OHOUFFKQKJBPDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.617

Distribution Coefficient, logD

5.617

Water Solubility, LogSw

-5.45

Polar Surface Area

54.399

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K801-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0142?
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What is the minimum amount of K801-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0142
  • 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 K801-0142 available by request