K410-0581 Screening compound: N~1~-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide

K410-0581 Screening compound: N~1~-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide
K410-0581 Screening compound: N~1~-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0581
N~1~-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-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

K410-0581

Molecular Formula

C18H13FN4O5S (C18 H13 FN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C18H13FN4O5S/c19-12-3-7-13(8-4-12)22-17(15-9-29(27,28)10-16(15)21-22)20-18(24)11-1-5-14(6-2-11)23(25)26/h1-8H,9-10H2,(H,20,24)

InChI Key

BJPBKLIYTNJLPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.39

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

1.952

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.58

Polar Surface Area

100.083

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with K410-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0581?
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What is the minimum amount of K410-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0581
  • 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 K410-0581 available by request