D481-1852 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(2-methylphenyl)-1H-1,2,4-triazol-5-amine

D481-1852 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(2-methylphenyl)-1H-1,2,4-triazol-5-amine
D481-1852 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(2-methylphenyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1852
1-(3,4-dimethoxybenzoyl)-3-(2-methylphenyl)-1H-1,2,4-triazol-5-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

D481-1852

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

1-(3,4-dimethoxybenzoyl)-3-(2-methylphenyl)-1H-1,2,4-triazol-5-amine

IUPAC name

1-(34-dimethoxybenzoyl)-3-(2-methylphenyl)-1H-124-triazol-5-amine

SMILES

Cc(cccc1)c1-c1nn(C(c(cc2)cc(OC)c2OC)=O)c(N)n1

InChI

InChI=1S/C18H18N4O3/c1-11-6-4-5-7-13(11)16-20-18(19)22(21-16)17(23)12-8-9-14(24-2)15(10-12)25-3/h4-10H,1-3H3,(H2,19,20,21)

InChI Key

INYFDMAVNWEDHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-2.74

Polar Surface Area

73.108

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D481-1852 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D481-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1852?
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What is the minimum amount of D481-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1852
  • 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 D481-1852 available by request