4171-0376 Screening compound: N''-[(E)-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino]guanidine

4171-0376 Screening compound: N''-[(E)-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino]guanidine
4171-0376 Screening compound: N''-[(E)-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4171-0376
N''-[(E)-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino]guanidine

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

4171-0376

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

N''-[(E)-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino]guanidine

IUPAC name

N''-[(E)-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino]guanidine

SMILES

COc(cc(/C=N/N=C(N)N)cc1)c1OCc1ccccc1

InChI

InChI=1S/C16H18N4O2/c1-21-15-9-13(10-19-20-16(17)18)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H4,17,18,20)

InChI Key

XVZNQKPUQUIGKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02192783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.807

Distribution Coefficient, logD

-0.182

Water Solubility, LogSw

-2.11

Polar Surface Area

75.518

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4171-0376 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4171-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4171-0376?
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What is the minimum amount of 4171-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4171-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4171-0376
  • 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 4171-0376 available by request