K801-0691 Screening compound: N-(2-ethoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

K801-0691 Screening compound: N-(2-ethoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
K801-0691 Screening compound: N-(2-ethoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0691
N-(2-ethoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

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

K801-0691

Molecular Formula

C24H28N2O2S2 (C24 H28 N2 O2 S2)

Compound Name

N-(2-ethoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

CCOc(cccc1)c1NC(c1c(NCc2c(C)ccs2)sc2c1CCCCC2)=O

InChI

InChI=1S/C24H28N2O2S2/c1-3-28-19-11-8-7-10-18(19)26-23(27)22-17-9-5-4-6-12-20(17)30-24(22)25-15-21-16(2)13-14-29-21/h7-8,10-11,13-14,25H,3-6,9,12,15H2,1-2H3,(H,26,27)

InChI Key

NVGACYLHRKECKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.639

Distribution Coefficient, logD

6.639

Water Solubility, LogSw

-5.65

Polar Surface Area

41.141

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K801-0691 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K801-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0691?
Check Price and Availability of K801-0691, 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 K801-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0691
  • 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 K801-0691 available by request