8013-3444 Screening compound: 3-(1-benzyl-1H-1,3-benzodiazol-2-yl)propan-1-ol

8013-3444 Screening compound: 3-(1-benzyl-1H-1,3-benzodiazol-2-yl)propan-1-ol
8013-3444 Screening compound: 3-(1-benzyl-1H-1,3-benzodiazol-2-yl)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3444
3-(1-benzyl-1H-1,3-benzodiazol-2-yl)propan-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

8013-3444

Molecular Formula

C17H18N2O (C17 H18 N2 O)

Compound Name

3-(1-benzyl-1H-1,3-benzodiazol-2-yl)propan-1-ol

IUPAC name

3-(1-benzyl-1H-13-benzodiazol-2-yl)propan-1-ol

SMILES

OCCCc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C17H18N2O/c20-12-6-11-17-18-15-9-4-5-10-16(15)19(17)13-14-7-2-1-3-8-14/h1-5,7-10,20H,6,11-13H2

InChI Key

VKBZBWPMGQXAGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01559260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.993

Water Solubility, LogSw

-2.85

Polar Surface Area

27.799

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8013-3444 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-3444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3444?
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What is the minimum amount of 8013-3444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3444
  • 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 8013-3444 available by request