8018-9855 Screening compound: 7-(2,5-dimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

8018-9855 Screening compound: 7-(2,5-dimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
8018-9855 Screening compound: 7-(2,5-dimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9855
7-(2,5-dimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

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

8018-9855

Molecular Formula

C15H15NO3S (C15 H15 NO3 S)

Compound Name

7-(2,5-dimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

7-(25-dimethoxyphenyl)-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

COc(cc1)cc(C(C2)c(scc3)c3NC2=O)c1OC

InChI

InChI=1S/C15H15NO3S/c1-18-9-3-4-13(19-2)10(7-9)11-8-14(17)16-12-5-6-20-15(11)12/h3-7,11H,8H2,1-2H3,(H,16,17)/t11-/m1/s1

InChI Key

BKHSZDJZXWIQAG-LLVKDONJSA-N

MDL Number (MFCD)

MFCD09063491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-3.39

Polar Surface Area

40.980

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

8018-9855 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-9855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9855?
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What is the minimum amount of 8018-9855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9855
  • 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 8018-9855 available by request