K410-0405 Screening compound: 4-(tert-butyl)-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

K410-0405 Screening compound: 4-(tert-butyl)-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
K410-0405 Screening compound: 4-(tert-butyl)-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0405
4-(tert-butyl)-N~1~-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

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

K410-0405

Molecular Formula

C22H22ClN3O3S (C22 H22 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H22ClN3O3S/c1-22(2,3)15-6-4-14(5-7-15)21(27)24-20-18-12-30(28,29)13-19(18)25-26(20)17-10-8-16(23)9-11-17/h4-11H,12-13H2,1-3H3,(H,24,27)

InChI Key

GUBZXDIKFBXCNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.62

Polar Surface Area

66.701

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K410-0405 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 K410-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0405?
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What is the minimum amount of K410-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0405
  • 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 K410-0405 available by request