K410-0681 Screening compound: 5-bromo-2-chloro-N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

K410-0681 Screening compound: 5-bromo-2-chloro-N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
K410-0681 Screening compound: 5-bromo-2-chloro-N~1~-[2-(4-methoxyphenyl)-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 K410-0681
5-bromo-2-chloro-N~1~-[2-(4-methoxyphenyl)-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

K410-0681

Molecular Formula

C19H15BrClN3O4S (C19 H15 BrClN3 O4 S)

Compound Name

5-bromo-2-chloro-N~1~-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

IUPAC name

5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]benzamide

SMILES

COc(cc1)ccc1-n1nc(CS(C2)(=O)=O)c2c1NC(c(cc(cc1)Br)c1Cl)=O

InChI

InChI=1S/C19H15BrClN3O4S/c1-28-13-5-3-12(4-6-13)24-18(15-9-29(26,27)10-17(15)23-24)22-19(25)14-8-11(20)2-7-16(14)21/h2-8H,9-10H2,1H3,(H,22,25)

InChI Key

JNVZVCDLDSQTJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.93

Polar Surface Area

74.245

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

K410-0681 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with K410-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0681?
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What is the minimum amount of K410-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0681
  • 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 K410-0681 available by request