K410-0406 Screening compound: 4-butoxy-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

K410-0406 Screening compound: 4-butoxy-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
K410-0406 Screening compound: 4-butoxy-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0406
4-butoxy-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

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

K410-0406

Molecular Formula

C22H22ClN3O4S (C22 H22 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1C(Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H22ClN3O4S/c1-2-3-12-30-18-10-4-15(5-11-18)22(27)24-21-19-13-31(28,29)14-20(19)25-26(21)17-8-6-16(23)7-9-17/h4-11H,2-3,12-14H2,1H3,(H,24,27)

InChI Key

PHPPFJYDVNORJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.48

Polar Surface Area

74.119

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with K410-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0406?
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What is the minimum amount of K410-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0406
  • 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 K410-0406 available by request