4171-0366 Screening compound: 4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-ethoxyphenyl 4-methylbenzoate

4171-0366 Screening compound: 4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-ethoxyphenyl 4-methylbenzoate
4171-0366 Screening compound: 4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-ethoxyphenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4171-0366
4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-ethoxyphenyl 4-methylbenzoate

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

4171-0366

Molecular Formula

C18H20N4O3 (C18 H20 N4 O3)

Compound Name

4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-ethoxyphenyl 4-methylbenzoate

IUPAC name

4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-ethoxyphenyl 4-methylbenzoate

SMILES

CCOc(cc(/C=N/N=C(N)N)cc1)c1OC(c1ccc(C)cc1)=O

InChI

InChI=1S/C18H20N4O3/c1-3-24-16-10-13(11-21-22-18(19)20)6-9-15(16)25-17(23)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H4,19,20,22)

InChI Key

JOIUJCWBOIUFFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02192773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.297

Distribution Coefficient, logD

0.308

Water Solubility, LogSw

-2.81

Polar Surface Area

88.248

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4171-0366 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4171-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4171-0366?
Check Price and Availability of 4171-0366, 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 4171-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4171-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4171-0366
  • 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 4171-0366 available by request