1989-9306 Screening compound: (4Z)-2-(2-fluorophenyl)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

1989-9306 Screening compound: (4Z)-2-(2-fluorophenyl)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one
1989-9306 Screening compound: (4Z)-2-(2-fluorophenyl)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9306
(4Z)-2-(2-fluorophenyl)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-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

1989-9306

Molecular Formula

C17H12FN3O5 (C17 H12 FN3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(cc1)[N+]([O-])=O)c1N/C=C1\N=C(c(cccc2)c2F)OC1=O

InChI

InChI=1S/C17H12FN3O5/c1-25-15-8-10(21(23)24)6-7-13(15)19-9-14-17(22)26-16(20-14)11-4-2-3-5-12(11)18/h2-9,19H,1H3

InChI Key

AZBWVIVSUMUBAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-3.68

Polar Surface Area

82.291

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 1989-9306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1989-9306?
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What is the minimum amount of 1989-9306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9306
  • 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 1989-9306 available by request