8019-9398 Screening compound: 7-{3-[(4-chlorophenyl)methoxy]phenyl}-2-(phenylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one

8019-9398 Screening compound: 7-{3-[(4-chlorophenyl)methoxy]phenyl}-2-(phenylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one
8019-9398 Screening compound: 7-{3-[(4-chlorophenyl)methoxy]phenyl}-2-(phenylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9398
7-{3-[(4-chlorophenyl)methoxy]phenyl}-2-(phenylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-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

8019-9398

Molecular Formula

C25H20ClN3O2S (C25 H20 ClN3 O2 S)

Compound Name

7-{3-[(4-chlorophenyl)methoxy]phenyl}-2-(phenylamino)-4H,5H,6H,7H-[1,3]thiazolo[4,5-b]pyridin-5-one

IUPAC name

7-{3-[(4-chlorophenyl)methoxy]phenyl}-2-(phenylamino)-4H5H6H7H-[13]thiazolo[45-b]pyridin-5-one

SMILES

O=C(CC1c2cccc(OCc(cc3)ccc3Cl)c2)Nc2c1sc(Nc1ccccc1)n2

InChI

InChI=1S/C25H20ClN3O2S/c26-18-11-9-16(10-12-18)15-31-20-8-4-5-17(13-20)21-14-22(30)28-24-23(21)32-25(29-24)27-19-6-2-1-3-7-19/h1-13,21H,14-15H2,(H,27,29)(H,28,30)/t21-/m1/s1

InChI Key

KNKZJUDYZSBFTR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD12034332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.283

Distribution Coefficient, logD

6.283

Water Solubility, LogSw

-6.40

Polar Surface Area

51.550

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8019-9398 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-9398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9398?
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What is the minimum amount of 8019-9398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9398
  • 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 8019-9398 available by request