G786-2363 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

G786-2363 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
G786-2363 Screening compound: ethyl 3-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-2363
ethyl 3-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-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

G786-2363

Molecular Formula

C22H25N3O3S2 (C22 H25 N3 O3 S2)

Compound Name

ethyl 3-(1,3-benzothiazol-2-yl)-2-(2,2-dimethylpropanamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

IUPAC name

ethyl 3-(13-benzothiazol-2-yl)-2-(22-dimethylpropanamido)-4H5H6H7H-thieno[23-c]pyridine-6-carboxylate

SMILES

CCOC(N(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(C(C)(C)C)=O)s2)=O

InChI

InChI=1S/C22H25N3O3S2/c1-5-28-21(27)25-11-10-13-16(12-25)30-19(24-20(26)22(2,3)4)17(13)18-23-14-8-6-7-9-15(14)29-18/h6-9H,5,10-12H2,1-4H3,(H,24,26)

InChI Key

DRLMOQUPKPSXON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04427577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

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

5.002

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.69

Polar Surface Area

55.479

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G786-2363 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G786-2363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-2363?
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What is the minimum amount of G786-2363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-2363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-2363
  • 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 G786-2363 available by request