1988-1206 Screening compound: N-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

1988-1206 Screening compound: N-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
1988-1206 Screening compound: N-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1206
N-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

1988-1206

Molecular Formula

C15H12N2O5 (C15 H12 N2 O5)

Compound Name

N-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-(3-nitrophenyl)-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

[O-][N+](c1cc(NC(C2Oc(cccc3)c3OC2)=O)ccc1)=O

InChI

InChI=1S/C15H12N2O5/c18-15(16-10-4-3-5-11(8-10)17(19)20)14-9-21-12-6-1-2-7-13(12)22-14/h1-8,14H,9H2,(H,16,18)/t14-/m0/s1

InChI Key

ROZHPHAJMCSPIN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00300301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.36

Polar Surface Area

72.148

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

1988-1206 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1988-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-1206?
Check Price and Availability of 1988-1206, 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 1988-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1206
  • 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 1988-1206 available by request