K410-0456 Screening compound: 2-ethyl-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide

K410-0456 Screening compound: 2-ethyl-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide
K410-0456 Screening compound: 2-ethyl-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0456
2-ethyl-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide

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

K410-0456

Molecular Formula

C17H20N4O5S (C17 H20 N4 O5 S)

Compound Name

2-ethyl-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide

IUPAC name

2-ethyl-N-[2-(4-nitrophenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]butanamide

SMILES

CCC(CC)C(Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C17H20N4O5S/c1-3-11(4-2)17(22)18-16-14-9-27(25,26)10-15(14)19-20(16)12-5-7-13(8-6-12)21(23)24/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,22)

InChI Key

SODXDHKNESPHEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.064

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.72

Polar Surface Area

100.354

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with K410-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0456?
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What is the minimum amount of K410-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0456
  • 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 K410-0456 available by request