K410-0799 Screening compound: N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxypropanamide

K410-0799 Screening compound: N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxypropanamide
K410-0799 Screening compound: N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0799
N~1~-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxypropanamide

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

K410-0799

Molecular Formula

C22H23N3O4S (C22 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1c(CS(C2)(=O)=O)c2nn1-c1c(C)c(C)ccc1)=O)Oc1ccccc1

InChI

InChI=1S/C22H23N3O4S/c1-14-8-7-11-20(15(14)2)25-21(18-12-30(27,28)13-19(18)24-25)23-22(26)16(3)29-17-9-5-4-6-10-17/h4-11,16H,12-13H2,1-3H3,(H,23,26)/t16-/m0/s1

InChI Key

QOBHFBKMRKZYLJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04452575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.83

Polar Surface Area

73.189

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

K410-0799 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 K410-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0799?
Check Price and Availability of K410-0799, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K410-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0799
  • 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 K410-0799 available by request