8582-1196 Screening compound: N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide

8582-1196 Screening compound: N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide
8582-1196 Screening compound: N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8582-1196
N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide

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

8582-1196

Molecular Formula

C20H17FN2O2S (C20 H17 FN2 O2 S)

Compound Name

N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-{5-[(4-fluorophenyl)methyl]-13-thiazol-2-yl}-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

O=C(C(C1)COc2c1cccc2)Nc1ncc(Cc(cc2)ccc2F)s1

InChI

InChI=1S/C20H17FN2O2S/c21-16-7-5-13(6-8-16)9-17-11-22-20(26-17)23-19(24)15-10-14-3-1-2-4-18(14)25-12-15/h1-8,11,15H,9-10,12H2,(H,22,23,24)/t15-/m0/s1

InChI Key

SZWLZSXCHWTRCF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09039819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-4.65

Polar Surface Area

41.996

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8582-1196 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8582-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8582-1196?
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What is the minimum amount of 8582-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8582-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8582-1196
  • 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 8582-1196 available by request