1989-9317 Screening compound: (4Z)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(2-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-one

1989-9317 Screening compound: (4Z)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(2-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-one
1989-9317 Screening compound: (4Z)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(2-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9317
(4Z)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(2-fluorophenyl)-4,5-dihydro-1,3-oxazol-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

1989-9317

Molecular Formula

C15H9ClFN3O2 (C15 H9 ClFN3 O2)

Compound Name

(4Z)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(2-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-{[(5-chloropyridin-2-yl)amino]methylidene}-2-(2-fluorophenyl)-45-dihydro-13-oxazol-5-one

SMILES

O=C1OC(c(cccc2)c2F)=N/C1=C\Nc(cc1)ncc1Cl

InChI

InChI=1S/C15H9ClFN3O2/c16-9-5-6-13(18-7-9)19-8-12-15(21)22-14(20-12)10-3-1-2-4-11(10)17/h1-8H,(H,18,19)

InChI Key

HIGREXUMQMBFGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.97

Polar Surface Area

51.681

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1989-9317 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 1989-9317 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1989-9317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9317
  • 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 1989-9317 available by request