2084-9896 Screening compound: (4Z)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-2-phenyl-4,5-dihydro-1,3-oxazol-5-one

2084-9896 Screening compound: (4Z)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
2084-9896 Screening compound: (4Z)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-2-phenyl-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2084-9896
(4Z)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-2-phenyl-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

2084-9896

Molecular Formula

C20H18N4O4 (C20 H18 N4 O4)

Compound Name

(4Z)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-2-phenyl-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-2-phenyl-45-dihydro-13-oxazol-5-one

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1/C=C1\N=C(c2ccccc2)OC1=O)=O

InChI

InChI=1S/C20H18N4O4/c25-20-18(21-19(28-20)15-4-2-1-3-5-15)14-22-10-12-23(13-11-22)16-6-8-17(9-7-16)24(26)27/h1-9,14H,10-13H2

InChI Key

QZMMQRYUNYIBBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-2.65

Polar Surface Area

71.632

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2084-9896 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2084-9896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2084-9896?
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What is the minimum amount of 2084-9896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2084-9896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2084-9896
  • 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 2084-9896 available by request