C736-0416 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0416 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0416 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0416
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-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

C736-0416

Molecular Formula

C24H25N7O (C24 H25 N7 O)

Compound Name

2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC name

2-[2-(35-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-[124]triazolo[15-c]quinazolin-5-amine

SMILES

Cc1c(CCc2nn3c(NCc(cc4)ccc4OC)nc(cccc4)c4c3n2)c(C)n[nH]1

InChI

InChI=1S/C24H25N7O/c1-15-19(16(2)29-28-15)12-13-22-27-23-20-6-4-5-7-21(20)26-24(31(23)30-22)25-14-17-8-10-18(32-3)11-9-17/h4-11H,12-14H2,1-3H3,(H,25,26)(H,28,29)

InChI Key

TUOBOOMGSWXEGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.951

Distribution Coefficient, logD

1.531

Water Solubility, LogSw

-4.31

Polar Surface Area

74.078

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

9.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C736-0416 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C736-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0416?
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What is the minimum amount of C736-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0416
  • 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 C736-0416 available by request