K409-0242 Screening compound: 1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide

K409-0242 Screening compound: 1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
K409-0242 Screening compound: 1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K409-0242
1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-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

K409-0242

Molecular Formula

C23H21ClN4O3S (C23 H21 ClN4 O3 S)

Compound Name

1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide

IUPAC name

1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-2H4H6H-thieno[34-c]pyrazol-3-yl]cyclopentane-1-carboxamide

SMILES

[O-][N+](c(cc1)ccc1-n1nc(CSC2)c2c1NC(C1(CCCC1)c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C23H21ClN4O3S/c24-16-5-3-15(4-6-16)23(11-1-2-12-23)22(29)25-21-19-13-32-14-20(19)26-27(21)17-7-9-18(10-8-17)28(30)31/h3-10H,1-2,11-14H2,(H,25,29)

InChI Key

BLIZHDFACYODFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05012878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.439

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-6.08

Polar Surface Area

72.298

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

K409-0242 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K409-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K409-0242?
Check Price and Availability of K409-0242, 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 K409-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K409-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K409-0242
  • 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 K409-0242 available by request