K410-0430 Screening compound: N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide

K410-0430 Screening compound: N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide
K410-0430 Screening compound: N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0430
N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide

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

K410-0430

Molecular Formula

C21H20ClN3O5S (C21 H20 ClN3 O5 S)

Compound Name

N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide

IUPAC name

N-[2-(4-chlorophenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]-2-(34-dimethoxyphenyl)acetamide

SMILES

COc(ccc(CC(Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1Cl)=O)c1)c1OC

InChI

InChI=1S/C21H20ClN3O5S/c1-29-18-8-3-13(9-19(18)30-2)10-20(26)23-21-16-11-31(27,28)12-17(16)24-25(21)15-6-4-14(22)5-7-15/h3-9H,10-12H2,1-2H3,(H,23,26)

InChI Key

LCPPKGXSSVULPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.118

Distribution Coefficient, logD

2.117

Water Solubility, LogSw

-3.21

Polar Surface Area

81.749

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K410-0430 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K410-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0430?
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What is the minimum amount of K410-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0430
  • 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 K410-0430 available by request