8012-4738 Screening compound: 4-{[5-(3,4-dimethoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

8012-4738 Screening compound: 4-{[5-(3,4-dimethoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
8012-4738 Screening compound: 4-{[5-(3,4-dimethoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-6-(morpholin-4-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4738
4-{[5-(3,4-dimethoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-6-(morpholin-4-yl)-1,3,5-triazin-2-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

8012-4738

Molecular Formula

C17H21N9O3 (C17 H21 N9 O3)

Compound Name

4-{[5-(3,4-dimethoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

IUPAC name

4-{[5-(34-dimethoxyphenyl)-2H-1234-tetrazol-2-yl]methyl}-6-(morpholin-4-yl)-135-triazin-2-amine

SMILES

COc(ccc(-c1nn(Cc2nc(N3CCOCC3)nc(N)n2)nn1)c1)c1OC

InChI

InChI=1S/C17H21N9O3/c1-27-12-4-3-11(9-13(12)28-2)15-22-24-26(23-15)10-14-19-16(18)21-17(20-14)25-5-7-29-8-6-25/h3-4,9H,5-8,10H2,1-2H3,(H2,18,19,20,21)

InChI Key

WLELZOITIODRHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.162

Distribution Coefficient, logD

1.157

Water Solubility, LogSw

-2.07

Polar Surface Area

115.213

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8012-4738 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-4738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4738?
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What is the minimum amount of 8012-4738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4738
  • 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 8012-4738 available by request