K410-0685 Screening compound: N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide

K410-0685 Screening compound: N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
K410-0685 Screening compound: N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0685
N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-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

K410-0685

Molecular Formula

C20H18N4O6S (C20 H18 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c([N+]([O-])=O)ccc1)c1C(Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1OC)=O

InChI

InChI=1S/C20H18N4O6S/c1-12-15(4-3-5-18(12)24(26)27)20(25)21-19-16-10-31(28,29)11-17(16)22-23(19)13-6-8-14(30-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,21,25)

InChI Key

DSYUYCJMLXRKPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.220

Distribution Coefficient, logD

2.109

Water Solubility, LogSw

-3.00

Polar Surface Area

107.326

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K410-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0685?
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What is the minimum amount of K410-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0685
  • 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 K410-0685 available by request