8019-0045 Screening compound: 7-(2,3,4-trimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

8019-0045 Screening compound: 7-(2,3,4-trimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
8019-0045 Screening compound: 7-(2,3,4-trimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0045
7-(2,3,4-trimethoxyphenyl)-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

8019-0045

Molecular Formula

C16H17NO4S (C16 H17 NO4 S)

Compound Name

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

IUPAC name

7-(234-trimethoxyphenyl)-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

COc(ccc(C(C1)c(scc2)c2NC1=O)c1OC)c1OC

InChI

InChI=1S/C16H17NO4S/c1-19-12-5-4-9(14(20-2)15(12)21-3)10-8-13(18)17-11-6-7-22-16(10)11/h4-7,10H,8H2,1-3H3,(H,17,18)/t10-/m1/s1

InChI Key

WDKGYKAGCYUMHX-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD09063630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-2.95

Polar Surface Area

48.871

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

8019-0045 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8019-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0045?
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What is the minimum amount of 8019-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0045
  • 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 8019-0045 available by request