0093-0008 Screening compound: 4-nitro-2-{4'-octyl-[1,1'-biphenyl]-4-yl}-2,3-dihydro-1H-isoindole-1,3-dione

0093-0008 Screening compound: 4-nitro-2-{4'-octyl-[1,1'-biphenyl]-4-yl}-2,3-dihydro-1H-isoindole-1,3-dione
0093-0008 Screening compound: 4-nitro-2-{4'-octyl-[1,1'-biphenyl]-4-yl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0093-0008
4-nitro-2-{4'-octyl-[1,1'-biphenyl]-4-yl}-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

0093-0008

Molecular Formula

C28H28N2O4 (C28 H28 N2 O4)

Compound Name

4-nitro-2-{4'-octyl-[1,1'-biphenyl]-4-yl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

4-nitro-2-{4'-octyl-[11'-biphenyl]-4-yl}-23-dihydro-1H-isoindole-13-dione

SMILES

CCCCCCCCc(cc1)ccc1-c(cc1)ccc1N(C(c1cccc([N+]([O-])=O)c11)=O)C1=O

InChI

InChI=1S/C28H28N2O4/c1-2-3-4-5-6-7-9-20-12-14-21(15-13-20)22-16-18-23(19-17-22)29-27(31)24-10-8-11-25(30(33)34)26(24)28(29)32/h8,10-19H,2-7,9H2,1H3

InChI Key

VNYXHFCCIQZFPB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.461

Distribution Coefficient, logD

7.461

Water Solubility, LogSw

-5.78

Polar Surface Area

61.689

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

-9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 0093-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0093-0008?
Check Price and Availability of 0093-0008, 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 0093-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0093-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0093-0008
  • 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 0093-0008 available by request