8012-8423 Screening compound: benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxylate

8012-8423 Screening compound: benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxylate
8012-8423 Screening compound: benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8423
benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-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

8012-8423

Molecular Formula

C23H26N2O2S (C23 H26 N2 O2 S)

Compound Name

benzyl 3-amino-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxylate

IUPAC name

benzyl 6-amino-8-ethyl-4-thia-2-azatricyclo[7.6.0.0^{37}]pentadeca-13(7)58-tetraene-5-carboxylate

SMILES

CCc1c(c(N)c(C(OCc2ccccc2)=O)s2)c2nc2c1CCCCCC2

InChI

InChI=1S/C23H26N2O2S/c1-2-16-17-12-8-3-4-9-13-18(17)25-22-19(16)20(24)21(28-22)23(26)27-14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14,24H2,1H3

InChI Key

OHAJEJDREDCVEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03058713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

6.483

Water Solubility, LogSw

-5.85

Polar Surface Area

51.955

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

8012-8423 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-8423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8423?
Check Price and Availability of 8012-8423, 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 8012-8423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8423
  • 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 8012-8423 available by request