K410-0343 Screening compound: N~1~-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenylbutanamide

K410-0343 Screening compound: N~1~-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenylbutanamide
K410-0343 Screening compound: N~1~-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0343
N~1~-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenylbutanamide

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

K410-0343

Molecular Formula

C21H20ClN3O3S (C21 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1c(CS(C2)(=O)=O)c2nn1-c1cccc(Cl)c1)=O)c1ccccc1

InChI

InChI=1S/C21H20ClN3O3S/c1-2-17(14-7-4-3-5-8-14)21(26)23-20-18-12-29(27,28)13-19(18)24-25(20)16-10-6-9-15(22)11-16/h3-11,17H,2,12-13H2,1H3,(H,23,26)/t17-/m1/s1

InChI Key

PECGRXSPUPOTNI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD04452158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-4.01

Polar Surface Area

66.701

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

K410-0343 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 K410-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0343?
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What is the minimum amount of K410-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0343
  • 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 K410-0343 available by request