8019-8221 Screening compound: 7-{3-[(3-chlorophenyl)methoxy]phenyl}-3-(3,4-dimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

8019-8221 Screening compound: 7-{3-[(3-chlorophenyl)methoxy]phenyl}-3-(3,4-dimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
8019-8221 Screening compound: 7-{3-[(3-chlorophenyl)methoxy]phenyl}-3-(3,4-dimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8221
7-{3-[(3-chlorophenyl)methoxy]phenyl}-3-(3,4-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

8019-8221

Molecular Formula

C28H24ClNO4S (C28 H24 ClNO4 S)

Compound Name

7-{3-[(3-chlorophenyl)methoxy]phenyl}-3-(3,4-dimethoxyphenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one

IUPAC name

7-{3-[(3-chlorophenyl)methoxy]phenyl}-3-(34-dimethoxyphenyl)-4H5H6H7H-thieno[32-b]pyridin-5-one

SMILES

COc(ccc(-c1csc(C(C2)c3cccc(OCc4cccc(Cl)c4)c3)c1NC2=O)c1)c1OC

InChI

InChI=1S/C28H24ClNO4S/c1-32-24-10-9-19(13-25(24)33-2)23-16-35-28-22(14-26(31)30-27(23)28)18-6-4-8-21(12-18)34-15-17-5-3-7-20(29)11-17/h3-13,16,22H,14-15H2,1-2H3,(H,30,31)/t22-/m1/s1

InChI Key

TYFBGRHSDNRNGK-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD12033715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.965

Distribution Coefficient, logD

5.965

Water Solubility, LogSw

-6.14

Polar Surface Area

45.771

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 8019-8221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8221?
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What is the minimum amount of 8019-8221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8221
  • 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 8019-8221 available by request