4171-0365 Screening compound: 4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-methoxyphenyl 4-methylbenzoate

4171-0365 Screening compound: 4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-methoxyphenyl 4-methylbenzoate
4171-0365 Screening compound: 4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-methoxyphenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4171-0365
4-[(E)-{[(diaminomethylidene)amino]imino}methyl]-2-methoxyphenyl 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

4171-0365

Molecular Formula

C17H18N4O3 (C17 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Oc(ccc(/C=N/N=C(N)N)c1)c1OC)=O

InChI

InChI=1S/C17H18N4O3/c1-11-3-6-13(7-4-11)16(22)24-14-8-5-12(9-15(14)23-2)10-20-21-17(18)19/h3-10H,1-2H3,(H4,18,19,21)

InChI Key

LIAFBWOPJFMGSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02192772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.151

Distribution Coefficient, logD

0.162

Water Solubility, LogSw

-2.75

Polar Surface Area

88.668

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4171-0365 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4171-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4171-0365?
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What is the minimum amount of 4171-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4171-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4171-0365
  • 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 4171-0365 available by request