G786-0352 Screening compound: ETHYL 2-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-AMIDO)-5,5,7,7-TETRAMETHYL-4H,5H,6H,7H-THIENO[2,3-C]PYRIDINE-3-CARBOXYLATE

G786-0352 Screening compound: ETHYL 2-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-AMIDO)-5,5,7,7-TETRAMETHYL-4H,5H,6H,7H-THIENO[2,3-C]PYRIDINE-3-CARBOXYLATE
G786-0352 Screening compound: ETHYL 2-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-AMIDO)-5,5,7,7-TETRAMETHYL-4H,5H,6H,7H-THIENO[2,3-C]PYRIDINE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0352
ETHYL 2-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-AMIDO)-5,5,7,7-TETRAMETHYL-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

G786-0352

Molecular Formula

C23H28N2O5S (C23 H28 N2 O5 S)

Compound Name

ETHYL 2-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-AMIDO)-5,5,7,7-TETRAMETHYL-4H,5H,6H,7H-THIENO[2,3-C]PYRIDINE-3-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(c1c(NC(c(cc2)cc3c2OCCO3)=O)sc2c1CC(C)(C)NC2(C)C)=O

InChI

InChI=1S/C23H28N2O5S/c1-6-28-21(27)17-14-12-22(2,3)25-23(4,5)18(14)31-20(17)24-19(26)13-7-8-15-16(11-13)30-10-9-29-15/h7-8,11,25H,6,9-10,12H2,1-5H3,(H,24,26)

InChI Key

DDTIKHYIHUIKAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04428345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.66

Polar Surface Area

70.901

Acid Dissociation Constant (pKa)

4.70

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G786-0352 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G786-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0352?
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What is the minimum amount of G786-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0352
  • 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 G786-0352 available by request