K410-0234 Screening compound: 5-chloro-N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide

K410-0234 Screening compound: 5-chloro-N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
K410-0234 Screening compound: 5-chloro-N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0234
5-chloro-N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide

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

K410-0234

Molecular Formula

C19H15ClN4O5S (C19 H15 ClN4 O5 S)

Compound Name

5-chloro-N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide

IUPAC name

5-chloro-N-[2-(4-methylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]-2-nitrobenzamide

SMILES

Cc(cc1)ccc1-n1nc(CS(C2)(=O)=O)c2c1NC(c(cc(cc1)Cl)c1[N+]([O-])=O)=O

InChI

InChI=1S/C19H15ClN4O5S/c1-11-2-5-13(6-3-11)23-18(15-9-30(28,29)10-16(15)22-23)21-19(25)14-8-12(20)4-7-17(14)24(26)27/h2-8H,9-10H2,1H3,(H,21,25)

InChI Key

VUZBAETZUCQZPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.87

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

1.540

Water Solubility, LogSw

-3.65

Polar Surface Area

99.782

Acid Dissociation Constant (pKa)

6.26

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

K410-0234 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K410-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0234?
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What is the minimum amount of K410-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0234
  • 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 K410-0234 available by request