2267-0415 Screening compound: 2-[4-(3-methylphenoxy)phenyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

2267-0415 Screening compound: 2-[4-(3-methylphenoxy)phenyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
2267-0415 Screening compound: 2-[4-(3-methylphenoxy)phenyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2267-0415
2-[4-(3-methylphenoxy)phenyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

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

2267-0415

Molecular Formula

C21H14N2O5 (C21 H14 N2 O5)

Compound Name

2-[4-(3-methylphenoxy)phenyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[4-(3-methylphenoxy)phenyl]-4-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc1cccc(Oc(cc2)ccc2N(C(c2cccc([N+]([O-])=O)c22)=O)C2=O)c1

InChI

InChI=1S/C21H14N2O5/c1-13-4-2-5-16(12-13)28-15-10-8-14(9-11-15)22-20(24)17-6-3-7-18(23(26)27)19(17)21(22)25/h2-12H,1H3

InChI Key

HXPLPWNHMZYANI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01616477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.35

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

3.750

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-4.29

Polar Surface Area

68.708

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-8.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 2267-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2267-0415?
Check Price and Availability of 2267-0415, 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 2267-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2267-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2267-0415
  • 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 2267-0415 available by request