K410-0452 Screening compound: N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide

K410-0452 Screening compound: N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide
K410-0452 Screening compound: N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0452
N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide

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

K410-0452

Molecular Formula

C15H16N4O5S (C15 H16 N4 O5 S)

Compound Name

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

IUPAC name

N-[2-(4-nitrophenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]butanamide

SMILES

CCCC(Nc1c(CS(C2)(=O)=O)c2nn1-c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C15H16N4O5S/c1-2-3-14(20)16-15-12-8-25(23,24)9-13(12)17-18(15)10-4-6-11(7-5-10)19(21)22/h4-7H,2-3,8-9H2,1H3,(H,16,20)

InChI Key

CHDWEWOVFVDORI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.296

Distribution Coefficient, logD

1.296

Water Solubility, LogSw

-2.34

Polar Surface Area

100.141

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K410-0452 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K410-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0452?
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What is the minimum amount of K410-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0452
  • 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 K410-0452 available by request