2169-0087 Screening compound: 3,6-diethyl 2-benzamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate

2169-0087 Screening compound: 3,6-diethyl 2-benzamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate
2169-0087 Screening compound: 3,6-diethyl 2-benzamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2169-0087
3,6-diethyl 2-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

2169-0087

Molecular Formula

C20H22N2O5S (C20 H22 N2 O5 S)

Compound Name

3,6-diethyl 2-benzamido-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate

IUPAC name

36-diethyl 2-benzamido-4H5H6H7H-thieno[23-c]pyridine-36-dicarboxylate

SMILES

CCOC(c1c(NC(c2ccccc2)=O)sc(C2)c1CCN2C(OCC)=O)=O

InChI

InChI=1S/C20H22N2O5S/c1-3-26-19(24)16-14-10-11-22(20(25)27-4-2)12-15(14)28-18(16)21-17(23)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,21,23)

InChI Key

IKOGWMHZPQSXBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

-0.474

Water Solubility, LogSw

-3.78

Polar Surface Area

66.512

Acid Dissociation Constant (pKa)

3.48

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 2169-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2169-0087?
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What is the minimum amount of 2169-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2169-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2169-0087
  • 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 2169-0087 available by request