8019-0347 Screening compound: 7-[4-(cyclohexyloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

8019-0347 Screening compound: 7-[4-(cyclohexyloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
8019-0347 Screening compound: 7-[4-(cyclohexyloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0347
7-[4-(cyclohexyloxy)phenyl]-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

8019-0347

Molecular Formula

C19H21NO2S (C19 H21 NO2 S)

Compound Name

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

IUPAC name

7-[4-(cyclohexyloxy)phenyl]-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

O=C(CC1c(cc2)ccc2OC2CCCCC2)Nc2c1scc2

InChI

InChI=1S/C19H21NO2S/c21-18-12-16(19-17(20-18)10-11-23-19)13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h6-11,14,16H,1-5,12H2,(H,20,21)/t16-/m1/s1

InChI Key

JDVHEMDPMQVFPT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD09063847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.22

Polar Surface Area

32.260

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

8019-0347 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8019-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0347?
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What is the minimum amount of 8019-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0347
  • 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 8019-0347 available by request