2712-3865 Screening compound: 2-METHOXY-4-[(1E)-2-NITROETHENYL]PHENYL BENZOATE

2712-3865 Screening compound: 2-METHOXY-4-[(1E)-2-NITROETHENYL]PHENYL BENZOATE
2712-3865 Screening compound: 2-METHOXY-4-[(1E)-2-NITROETHENYL]PHENYL BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-3865
2-METHOXY-4-[(1E)-2-NITROETHENYL]PHENYL BENZOATE

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

2712-3865

Molecular Formula

C16H13NO5 (C16 H13 NO5)

Compound Name

2-METHOXY-4-[(1E)-2-NITROETHENYL]PHENYL BENZOATE

IUPAC name

n/a

SMILES

COc(cc(/C=C/[N+]([O-])=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C16H13NO5/c1-21-15-11-12(9-10-17(19)20)7-8-14(15)22-16(18)13-5-3-2-4-6-13/h2-11H,1H3

InChI Key

NBXVHJOLIVSNPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01463173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.418

Distribution Coefficient, logD

3.418

Water Solubility, LogSw

-3.82

Polar Surface Area

65.592

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

2712-3865 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2712-3865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-3865?
Check Price and Availability of 2712-3865, 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 2712-3865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-3865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-3865
  • 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 2712-3865 available by request