K408-0031 Screening compound: ethyl 2-[4-(dibutylsulfamoyl)benzamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

K408-0031 Screening compound: ethyl 2-[4-(dibutylsulfamoyl)benzamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
K408-0031 Screening compound: ethyl 2-[4-(dibutylsulfamoyl)benzamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K408-0031
ethyl 2-[4-(dibutylsulfamoyl)benzamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

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

K408-0031

Molecular Formula

C26H37N3O5S2 (C26 H37 N3 O5 S2)

Compound Name

ethyl 2-[4-(dibutylsulfamoyl)benzamido]-6-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

IUPAC name

ethyl 2-[4-(dibutylsulfamoyl)benzamido]-6-methyl-4H5H6H7H-thieno[23-c]pyridine-3-carboxylate

SMILES

CCCCN(CCCC)S(c(cc1)ccc1C(Nc1c(C(OCC)=O)c(CCN(C)C2)c2s1)=O)(=O)=O

InChI

InChI=1S/C26H37N3O5S2/c1-5-8-15-29(16-9-6-2)36(32,33)20-12-10-19(11-13-20)24(30)27-25-23(26(31)34-7-3)21-14-17-28(4)18-22(21)35-25/h10-13H,5-9,14-18H2,1-4H3,(H,27,30)

InChI Key

HRXQINSSIDZWSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05017369

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

535.73

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

0.063

Water Solubility, LogSw

-4.45

Polar Surface Area

78.812

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

K408-0031 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 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 K408-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K408-0031?
Check Price and Availability of K408-0031, 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 K408-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K408-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K408-0031
  • 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 K408-0031 available by request