K410-0372 Screening compound: N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide

K410-0372 Screening compound: N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide
K410-0372 Screening compound: N~1~-[2-(4-chlorophenyl)-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 K410-0372
N~1~-[2-(4-chlorophenyl)-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

K410-0372

Molecular Formula

C18H20ClN3O3S (C18 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C18H20ClN3O3S/c19-13-6-8-14(9-7-13)22-17(15-10-26(24,25)11-16(15)21-22)20-18(23)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,20,23)

InChI Key

GHLPFCROLKDMJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.848

Distribution Coefficient, logD

2.848

Water Solubility, LogSw

-3.61

Polar Surface Area

66.893

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

K410-0372 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K410-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0372?
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What is the minimum amount of K410-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0372
  • 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 K410-0372 available by request