8019-6035 Screening compound: 2-[(4-bromobenzyl)amino]-1-(2-methyl-2H-1,2,3,4-tetraazol-5-yl)-1-ethanol

8019-6035 Screening compound: 2-[(4-bromobenzyl)amino]-1-(2-methyl-2H-1,2,3,4-tetraazol-5-yl)-1-ethanol
8019-6035 Screening compound: 2-[(4-bromobenzyl)amino]-1-(2-methyl-2H-1,2,3,4-tetraazol-5-yl)-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6035
2-[(4-bromobenzyl)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

8019-6035

Molecular Formula

C11H14BrN5O (C11 H14 BrN5 O)

Compound Name

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

IUPAC name

2-{[(4-bromophenyl)methyl]amino}-1-(2-methyl-2H-1234-tetrazol-5-yl)ethan-1-ol

SMILES

Cn1nnc(C(CNCc(cc2)ccc2Br)O)n1

InChI

InChI=1S/C11H14BrN5O/c1-17-15-11(14-16-17)10(18)7-13-6-8-2-4-9(12)5-3-8/h2-5,10,13,18H,6-7H2,1H3/t10-/m0/s1

InChI Key

YVQMFEIOSUVAQV-JTQLQIEISA-N

MDL Number (MFCD)

MFCD09694249

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

312.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.651

Distribution Coefficient, logD

-0.780

Water Solubility, LogSw

-1.18

Polar Surface Area

66.565

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

8.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8019-6035 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-6035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6035?
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What is the minimum amount of 8019-6035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6035
  • 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 8019-6035 available by request