K410-0643 Screening compound: 4-butyl-N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide

K410-0643 Screening compound: 4-butyl-N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide
K410-0643 Screening compound: 4-butyl-N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0643
4-butyl-N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide

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

K410-0643

Molecular Formula

C23H31N3O4S (C23 H31 N3 O4 S)

Compound Name

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

IUPAC name

4-butyl-N-[2-(4-methoxyphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]cyclohexane-1-carboxamide

SMILES

CCCCC(CC1)CCC1C(Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1OC)=O

InChI

InChI=1S/C23H31N3O4S/c1-3-4-5-16-6-8-17(9-7-16)23(27)24-22-20-14-31(28,29)15-21(20)25-26(22)18-10-12-19(30-2)13-11-18/h10-13,16-17H,3-9,14-15H2,1-2H3,(H,24,27)

InChI Key

CLZUUEBNVQZXST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.58

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

4.117

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.14

Polar Surface Area

74.437

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

References: we are preparing a list of scientific research reports with K410-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0643?
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What is the minimum amount of K410-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0643
  • 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 K410-0643 available by request