8016-0030 Screening compound: 2-[(3,4-dimethoxybenzyl)amino]-1-(2-methyl-2H-1,2,3,4-tetraazol-5-yl)-1-ethanol

8016-0030 Screening compound: 2-[(3,4-dimethoxybenzyl)amino]-1-(2-methyl-2H-1,2,3,4-tetraazol-5-yl)-1-ethanol
8016-0030 Screening compound: 2-[(3,4-dimethoxybenzyl)amino]-1-(2-methyl-2H-1,2,3,4-tetraazol-5-yl)-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0030
2-[(3,4-dimethoxybenzyl)amino]-1-(2-methyl-2H-1,2,3,4-tetraazol-5-yl)-1-ethanol

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

8016-0030

Molecular Formula

C13H19N5O3 (C13 H19 N5 O3)

Compound Name

2-[(3,4-dimethoxybenzyl)amino]-1-(2-methyl-2H-1,2,3,4-tetraazol-5-yl)-1-ethanol

IUPAC name

2-{[(34-dimethoxyphenyl)methyl]amino}-1-(2-methyl-2H-1234-tetrazol-5-yl)ethan-1-ol

SMILES

Cn1nnc(C(CNCc(cc2)cc(OC)c2OC)O)n1

InChI

InChI=1S/C13H19N5O3/c1-18-16-13(15-17-18)10(19)8-14-7-9-4-5-11(20-2)12(6-9)21-3/h4-6,10,14,19H,7-8H2,1-3H3/t10-/m0/s1

InChI Key

QRHPCOZHJFSQPE-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05134768

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

293.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.568

Distribution Coefficient, logD

-3.632

Water Solubility, LogSw

-1.73

Polar Surface Area

81.826

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

10.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

8016-0030 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0030?
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What is the minimum amount of 8016-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0030
  • 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 8016-0030 available by request