3410-1686 Screening compound: 5-(4-methoxyphenyl)-2-{[(4-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione

3410-1686 Screening compound: 5-(4-methoxyphenyl)-2-{[(4-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione
3410-1686 Screening compound: 5-(4-methoxyphenyl)-2-{[(4-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3410-1686
5-(4-methoxyphenyl)-2-{[(4-nitrophenyl)amino]methylidene}cyclohexane-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

3410-1686

Molecular Formula

C20H18N2O5 (C20 H18 N2 O5)

Compound Name

5-(4-methoxyphenyl)-2-{[(4-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione

IUPAC name

5-(4-methoxyphenyl)-2-{[(4-nitrophenyl)amino]methylidene}cyclohexane-13-dione

SMILES

COc1ccc(C(CC(C2=CNc(cc3)ccc3[N+]([O-])=O)=O)CC2=O)cc1

InChI

InChI=1S/C20H18N2O5/c1-27-17-8-2-13(3-9-17)14-10-19(23)18(20(24)11-14)12-21-15-4-6-16(7-5-15)22(25)26/h2-9,12,14,21H,10-11H2,1H3

InChI Key

UJGJWQKWSRXZPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01942624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-4.19

Polar Surface Area

78.909

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3410-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3410-1686?
Check Price and Availability of 3410-1686, 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 3410-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3410-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3410-1686
  • 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 3410-1686 available by request