K408-1092 Screening compound: 5,5,7,7-tetramethyl-2-{4-[(2-methylpiperidin-1-yl)sulfonyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide

K408-1092 Screening compound: 5,5,7,7-tetramethyl-2-{4-[(2-methylpiperidin-1-yl)sulfonyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide
K408-1092 Screening compound: 5,5,7,7-tetramethyl-2-{4-[(2-methylpiperidin-1-yl)sulfonyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K408-1092
5,5,7,7-tetramethyl-2-{4-[(2-methylpiperidin-1-yl)sulfonyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide

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

K408-1092

Molecular Formula

C25H34N4O4S2 (C25 H34 N4 O4 S2)

Compound Name

5,5,7,7-tetramethyl-2-{4-[(2-methylpiperidin-1-yl)sulfonyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide

IUPAC name

5577-tetramethyl-2-{4-[(2-methylpiperidin-1-yl)sulfonyl]benzamido}-4H5H6H7H-thieno[23-c]pyridine-3-carboxamide

SMILES

CC(CCCC1)N1S(c(cc1)ccc1C(Nc1c(C(N)=O)c(CC(C)(C)NC2(C)C)c2s1)=O)(=O)=O

InChI

InChI=1S/C25H34N4O4S2/c1-15-8-6-7-13-29(15)35(32,33)17-11-9-16(10-12-17)22(31)27-23-19(21(26)30)18-14-24(2,3)28-25(4,5)20(18)34-23/h9-12,15,28H,6-8,13-14H2,1-5H3,(H2,26,30)(H,27,31)/t15-/m0/s1

InChI Key

GQGOMFXGTIXOJY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05014878

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

518.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.541

Distribution Coefficient, logD

2.541

Water Solubility, LogSw

-2.94

Polar Surface Area

100.156

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

K408-1092 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K408-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K408-1092?
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What is the minimum amount of K408-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K408-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K408-1092
  • 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 K408-1092 available by request