5786-1380 Screening compound: 1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethan-1-ol

5786-1380 Screening compound: 1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethan-1-ol
5786-1380 Screening compound: 1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1380
1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethan-1-ol

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

5786-1380

Molecular Formula

C13H18N2O (C13 H18 N2 O)

Compound Name

1-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethan-1-ol

IUPAC name

1-[1-(2-methylpropyl)-1H-13-benzodiazol-2-yl]ethan-1-ol

SMILES

CC(C)Cn1c(cccc2)c2nc1C(C)O

InChI

InChI=1S/C13H18N2O/c1-9(2)8-15-12-7-5-4-6-11(12)14-13(15)10(3)16/h4-7,9-10,16H,8H2,1-3H3/t10-/m0/s1

InChI Key

AJEPMHCNHZHBDI-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01548110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-2.89

Polar Surface Area

26.449

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

5786-1380 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 5786-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1380?
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What is the minimum amount of 5786-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1380
  • 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 5786-1380 available by request