8009-9962 Screening compound: 4-(3,4-dimethylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile

8009-9962 Screening compound: 4-(3,4-dimethylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
8009-9962 Screening compound: 4-(3,4-dimethylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9962
4-(3,4-dimethylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile

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

8009-9962

Molecular Formula

C16H11N3O3 (C16 H11 N3 O3)

Compound Name

4-(3,4-dimethylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile

IUPAC name

4-(34-dimethylphenoxy)-5-nitrobenzene-12-dicarbonitrile

SMILES

Cc(cc1)c(C)cc1Oc(cc(c(C#N)c1)C#N)c1[N+]([O-])=O

InChI

InChI=1S/C16H11N3O3/c1-10-3-4-14(5-11(10)2)22-16-7-13(9-18)12(8-17)6-15(16)19(20)21/h3-7H,1-2H3

InChI Key

USTUQXWWWYOXGR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.993

Water Solubility, LogSw

-4.32

Polar Surface Area

74.266

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8009-9962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9962?
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What is the minimum amount of 8009-9962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9962
  • 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 8009-9962 available by request