K408-0918 Screening compound: 3,6-diethyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate

K408-0918 Screening compound: 3,6-diethyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate
K408-0918 Screening compound: 3,6-diethyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K408-0918
3,6-diethyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate

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

K408-0918

Molecular Formula

C28H39N3O7S2 (C28 H39 N3 O7 S2)

Compound Name

3,6-diethyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate

IUPAC name

36-diethyl 2-{4-[bis(2-methylpropyl)sulfamoyl]benzamido}-4H5H6H7H-thieno[23-c]pyridine-36-dicarboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2S(N(CC(C)C)CC(C)C)(=O)=O)=O)sc(C2)c1CCN2C(OCC)=O)=O

InChI

InChI=1S/C28H39N3O7S2/c1-7-37-27(33)24-22-13-14-30(28(34)38-8-2)17-23(22)39-26(24)29-25(32)20-9-11-21(12-10-20)40(35,36)31(15-18(3)4)16-19(5)6/h9-12,18-19H,7-8,13-17H2,1-6H3,(H,29,32)

InChI Key

IRYVPWOJVGSMEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03019071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.77

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.417

Distribution Coefficient, logD

0.989

Water Solubility, LogSw

-5.49

Polar Surface Area

98.159

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

K408-0918 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K408-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K408-0918?
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What is the minimum amount of K408-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K408-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K408-0918
  • 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 K408-0918 available by request