2500-0520 Screening compound: 3,6-diethyl 2-[2-(benzylamino)acetamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate

2500-0520 Screening compound: 3,6-diethyl 2-[2-(benzylamino)acetamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate
2500-0520 Screening compound: 3,6-diethyl 2-[2-(benzylamino)acetamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2500-0520
3,6-diethyl 2-[2-(benzylamino)acetamido]-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

2500-0520

Molecular Formula

C22H27N3O5S (C22 H27 N3 O5 S)

Compound Name

3,6-diethyl 2-[2-(benzylamino)acetamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate

IUPAC name

36-diethyl 2-[2-(benzylamino)acetamido]-4H5H6H7H-thieno[23-c]pyridine-36-dicarboxylate

SMILES

CCOC(c1c(NC(CNCc2ccccc2)=O)sc(C2)c1CCN2C(OCC)=O)=O

InChI

InChI=1S/C22H27N3O5S/c1-3-29-21(27)19-16-10-11-25(22(28)30-4-2)14-17(16)31-20(19)24-18(26)13-23-12-15-8-6-5-7-9-15/h5-9,23H,3-4,10-14H2,1-2H3,(H,24,26)

InChI Key

VAPTUFFEIVZFPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

-0.411

Water Solubility, LogSw

-3.32

Polar Surface Area

78.336

Acid Dissociation Constant (pKa)

3.25

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

2500-0520 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2500-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2500-0520?
Check Price and Availability of 2500-0520, 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 2500-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2500-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2500-0520
  • 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 2500-0520 available by request