2125-0576 Screening compound: (4E)-2-(4-chloro-3-nitrophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2125-0576 Screening compound: (4E)-2-(4-chloro-3-nitrophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2125-0576 Screening compound: (4E)-2-(4-chloro-3-nitrophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2125-0576
(4E)-2-(4-chloro-3-nitrophenyl)-4-[(2-methoxynaphthalen-1-yl)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

2125-0576

Molecular Formula

C21H13ClN2O5 (C21 H13 ClN2 O5)

Compound Name

(4E)-2-(4-chloro-3-nitrophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-2-(4-chloro-3-nitrophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

COc1c(/C=C2/N=C(c(cc3)cc([N+]([O-])=O)c3Cl)OC2=O)c2ccccc2cc1

InChI

InChI=1S/C21H13ClN2O5/c1-28-19-9-7-12-4-2-3-5-14(12)15(19)11-17-21(25)29-20(23-17)13-6-8-16(22)18(10-13)24(26)27/h2-11H,1H3

InChI Key

PSOGUIQUVCTQJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.96

Polar Surface Area

70.815

Acid Dissociation Constant (pKa)

32.92

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2125-0576 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 2125-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2125-0576?
Check Price and Availability of 2125-0576, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2125-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2125-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2125-0576
  • 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 2125-0576 available by request