K410-0188 Screening compound: 2,2-dimethyl-N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide

K410-0188 Screening compound: 2,2-dimethyl-N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide
K410-0188 Screening compound: 2,2-dimethyl-N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0188
2,2-dimethyl-N~1~-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide

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

K410-0188

Molecular Formula

C17H21N3O3S (C17 H21 N3 O3 S)

Compound Name

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

IUPAC name

22-dimethyl-N-[2-(4-methylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]propanamide

SMILES

CC(C)(C)C(Nc1c(CS(C2)(=O)=O)c2nn1-c1ccc(C)cc1)=O

InChI

InChI=1S/C17H21N3O3S/c1-11-5-7-12(8-6-11)20-15(18-16(21)17(2,3)4)13-9-24(22,23)10-14(13)19-20/h5-8H,9-10H2,1-4H3,(H,18,21)

InChI Key

GZTYEAQTGKJYBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

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

2.012

Distribution Coefficient, logD

2.011

Water Solubility, LogSw

-2.62

Polar Surface Area

66.973

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

K410-0188 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K410-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0188?
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What is the minimum amount of K410-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0188
  • 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 K410-0188 available by request