4896-2651 Screening compound: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(2-naphthyl)methylidene]amine

4896-2651 Screening compound: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(2-naphthyl)methylidene]amine
4896-2651 Screening compound: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(2-naphthyl)methylidene]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-2651
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(2-naphthyl)methylidene]amine

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

4896-2651

Molecular Formula

C19H18N6 (C19 H18 N6)

Compound Name

N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N-[(E)-1-(2-naphthyl)methylidene]amine

IUPAC name

(E)-N-[3-(35-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-124-triazol-4-yl]-1-(naphthalen-2-yl)methanimine

SMILES

Cc1cc(C)nn1-c1nnc(C)n1/N=C/c1cc2ccccc2cc1

InChI

InChI=1S/C19H18N6/c1-13-10-14(2)24(23-13)19-22-21-15(3)25(19)20-12-16-8-9-17-6-4-5-7-18(17)11-16/h4-12H,1-3H3

InChI Key

OGXSLKIFUAUNTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02053620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.638

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-2.98

Polar Surface Area

49.212

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

4896-2651 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4896-2651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-2651?
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What is the minimum amount of 4896-2651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-2651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-2651
  • 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 4896-2651 available by request