3253-0796 Screening compound: (Z)-1-[4-(benzyloxy)-3-methoxyphenyl]-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine

3253-0796 Screening compound: (Z)-1-[4-(benzyloxy)-3-methoxyphenyl]-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine
3253-0796 Screening compound: (Z)-1-[4-(benzyloxy)-3-methoxyphenyl]-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-0796
(Z)-1-[4-(benzyloxy)-3-methoxyphenyl]-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine

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

3253-0796

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

(Z)-1-[4-(benzyloxy)-3-methoxyphenyl]-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)methanimine

IUPAC name

(Z)-1-[4-(benzyloxy)-3-methoxyphenyl]-N-(35-dimethyl-4H-124-triazol-4-yl)methanimine

SMILES

Cc1nnc(C)n1/N=C\c(cc1)cc(OC)c1OCc1ccccc1

InChI

InChI=1S/C19H20N4O2/c1-14-21-22-15(2)23(14)20-12-17-9-10-18(19(11-17)24-3)25-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3

InChI Key

NTVAEUSNLIFXPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01912920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

1.992

Water Solubility, LogSw

-2.22

Polar Surface Area

51.793

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3253-0796 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3253-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-0796?
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What is the minimum amount of 3253-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-0796
  • 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 3253-0796 available by request