K410-0775 Screening compound: 2-chloro-N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide

K410-0775 Screening compound: 2-chloro-N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
K410-0775 Screening compound: 2-chloro-N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0775
2-chloro-N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide

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

K410-0775

Molecular Formula

C20H17ClN4O5S (C20 H17 ClN4 O5 S)

Compound Name

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

IUPAC name

2-chloro-N-[2-(23-dimethylphenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]-5-nitrobenzamide

SMILES

Cc1cccc(-n2nc(CS(C3)(=O)=O)c3c2NC(c(cc(cc2)[N+]([O-])=O)c2Cl)=O)c1C

InChI

InChI=1S/C20H17ClN4O5S/c1-11-4-3-5-18(12(11)2)24-19(15-9-31(29,30)10-17(15)23-24)22-20(26)14-8-13(25(27)28)6-7-16(14)21/h3-8H,9-10H2,1-2H3,(H,22,26)

InChI Key

DNWVDBPCFUUTEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-4.02

Polar Surface Area

99.782

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K410-0775 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K410-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0775?
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What is the minimum amount of K410-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0775
  • 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 K410-0775 available by request