8017-5620 Screening compound: 3-(benzoylamino)-N~2~-mesityl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

8017-5620 Screening compound: 3-(benzoylamino)-N~2~-mesityl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
8017-5620 Screening compound: 3-(benzoylamino)-N~2~-mesityl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5620
3-(benzoylamino)-N~2~-mesityl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

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

8017-5620

Molecular Formula

C26H25N3O2S (C26 H25 N3 O2 S)

Compound Name

3-(benzoylamino)-N~2~-mesityl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

IUPAC name

3-benzamido-46-dimethyl-N-(246-trimethylphenyl)thieno[23-b]pyridine-2-carboxamide

SMILES

Cc(cc1C)cc(C)c1NC(c(sc1nc(C)cc(C)c11)c1NC(c1ccccc1)=O)=O

InChI

InChI=1S/C26H25N3O2S/c1-14-11-16(3)21(17(4)12-14)28-25(31)23-22(29-24(30)19-9-7-6-8-10-19)20-15(2)13-18(5)27-26(20)32-23/h6-13H,1-5H3,(H,28,31)(H,29,30)

InChI Key

WJZUPLNRSZVZOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.585

Water Solubility, LogSw

-4.57

Polar Surface Area

53.156

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

8017-5620 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-5620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5620?
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What is the minimum amount of 8017-5620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5620
  • 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 8017-5620 available by request