1663-0020 Screening compound: N-[4-(ethenyloxy)phenyl]-3,5-dinitrobenzamide

1663-0020 Screening compound: N-[4-(ethenyloxy)phenyl]-3,5-dinitrobenzamide
1663-0020 Screening compound: N-[4-(ethenyloxy)phenyl]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1663-0020
N-[4-(ethenyloxy)phenyl]-3,5-dinitrobenzamide

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

1663-0020

Molecular Formula

C15H11N3O6 (C15 H11 N3 O6)

Compound Name

N-[4-(ethenyloxy)phenyl]-3,5-dinitrobenzamide

IUPAC name

N-[4-(ethenyloxy)phenyl]-35-dinitrobenzamide

SMILES

C=COc(cc1)ccc1NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C15H11N3O6/c1-2-24-14-5-3-11(4-6-14)16-15(19)10-7-12(17(20)21)9-13(8-10)18(22)23/h2-9H,1H2,(H,16,19)

InChI Key

AWIKGGROAAAECL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.27

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.68

Polar Surface Area

97.493

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1663-0020 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1663-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1663-0020?
Check Price and Availability of 1663-0020, 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 1663-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1663-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1663-0020
  • 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 1663-0020 available by request