K801-0371 Screening compound: ethyl 4-(2-{[(thiophen-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-amido)benzoate

K801-0371 Screening compound: ethyl 4-(2-{[(thiophen-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-amido)benzoate
K801-0371 Screening compound: ethyl 4-(2-{[(thiophen-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0371
ethyl 4-(2-{[(thiophen-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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

K801-0371

Molecular Formula

C23H24N2O3S2 (C23 H24 N2 O3 S2)

Compound Name

ethyl 4-(2-{[(thiophen-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-amido)benzoate

IUPAC name

ethyl 4-(2-{[(thiophen-2-yl)methyl]amino}-4567-tetrahydro-1-benzothiophene-3-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1c(NCc2cccs2)sc2c1CCCC2)=O)=O

InChI

InChI=1S/C23H24N2O3S2/c1-2-28-23(27)15-9-11-16(12-10-15)25-21(26)20-18-7-3-4-8-19(18)30-22(20)24-14-17-6-5-13-29-17/h5-6,9-13,24H,2-4,7-8,14H2,1H3,(H,25,26)

InChI Key

PREWSDSHKGMBEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.59

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

5.839

Distribution Coefficient, logD

5.838

Water Solubility, LogSw

-5.53

Polar Surface Area

55.051

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

K801-0371 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K801-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0371?
Check Price and Availability of K801-0371, 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 K801-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0371
  • 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 K801-0371 available by request