K410-0598 Screening compound: N~1~-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide

K410-0598 Screening compound: N~1~-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide
K410-0598 Screening compound: N~1~-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0598
N~1~-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide

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

K410-0598

Molecular Formula

C20H18FN3O3S (C20 H18 FN3 O3 S)

Compound Name

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

IUPAC name

N-[2-(4-fluorophenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]-35-dimethylbenzamide

SMILES

Cc1cc(C(Nc2c(CS(C3)(=O)=O)c3nn2-c(cc2)ccc2F)=O)cc(C)c1

InChI

InChI=1S/C20H18FN3O3S/c1-12-7-13(2)9-14(8-12)20(25)22-19-17-10-28(26,27)11-18(17)23-24(19)16-5-3-15(21)4-6-16/h3-9H,10-11H2,1-2H3,(H,22,25)

InChI Key

DZXDWCPFUNWZQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

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

2.876

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.41

Polar Surface Area

66.701

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K410-0598 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K410-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0598?
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What is the minimum amount of K410-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0598
  • 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 K410-0598 available by request