G856-5994 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3,4-dimethoxybenzamide

G856-5994 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3,4-dimethoxybenzamide
G856-5994 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5994
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3,4-dimethoxybenzamide

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

G856-5994

Molecular Formula

C25H25N3O3S2 (C25 H25 N3 O3 S2)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-3,4-dimethoxybenzamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-6-ethyl-4H5H6H7H-thieno[23-c]pyridin-2-yl]-34-dimethoxybenzamide

SMILES

CCN(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(c(cc1)cc(OC)c1OC)=O)s2

InChI

InChI=1S/C25H25N3O3S2/c1-4-28-12-11-16-21(14-28)33-25(22(16)24-26-17-7-5-6-8-20(17)32-24)27-23(29)15-9-10-18(30-2)19(13-15)31-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,27,29)

InChI Key

JTZUYCRBVPRKAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11984303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.854

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.70

Polar Surface Area

51.224

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G856-5994 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G856-5994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5994?
Check Price and Availability of G856-5994, 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 G856-5994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5994
  • 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 G856-5994 available by request