K410-0522 Screening compound: N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide

K410-0522 Screening compound: N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
K410-0522 Screening compound: N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0522
N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide

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

K410-0522

Molecular Formula

C20H18N4O5S (C20 H18 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]-3-phenylpropanamide

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1-n1nc(CS(C2)(=O)=O)c2c1NC(CCc1ccccc1)=O)=O

InChI

InChI=1S/C20H18N4O5S/c25-19(11-6-14-4-2-1-3-5-14)21-20-17-12-30(28,29)13-18(17)22-23(20)15-7-9-16(10-8-15)24(26)27/h1-5,7-10H,6,11-13H2,(H,21,25)

InChI Key

OSJJCFZTOITPDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.317

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-2.75

Polar Surface Area

99.869

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K410-0522 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K410-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0522?
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What is the minimum amount of K410-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0522
  • 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 K410-0522 available by request