K801-0205 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{[(2,5-dimethoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

K801-0205 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{[(2,5-dimethoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
K801-0205 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{[(2,5-dimethoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0205
N-(5-chloro-2-methoxyphenyl)-2-{[(2,5-dimethoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[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

K801-0205

Molecular Formula

C24H25ClN2O4S (C24 H25 ClN2 O4 S)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-{[(2,5-dimethoxyphenyl)methyl]amino}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-{[(25-dimethoxyphenyl)methyl]amino}-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

COc(cc1)cc(CNc2c(C(Nc(cc(cc3)Cl)c3OC)=O)c(CCC3)c3s2)c1OC

InChI

InChI=1S/C24H25ClN2O4S/c1-29-16-8-10-19(30-2)14(11-16)13-26-24-22(17-5-4-6-21(17)32-24)23(28)27-18-12-15(25)7-9-20(18)31-3/h7-12,26H,4-6,13H2,1-3H3,(H,27,28)

InChI Key

GKDMCRKWHDNWHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

5.493

Water Solubility, LogSw

-6.09

Polar Surface Area

55.752

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K801-0205 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K801-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0205?
Check Price and Availability of K801-0205, 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 K801-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0205
  • 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 K801-0205 available by request