6814-0010 Screening compound: 1-(3,5-dimethoxyphenoxy)-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propan-2-ol

6814-0010 Screening compound: 1-(3,5-dimethoxyphenoxy)-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propan-2-ol
6814-0010 Screening compound: 1-(3,5-dimethoxyphenoxy)-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6814-0010
1-(3,5-dimethoxyphenoxy)-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propan-2-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

6814-0010

Molecular Formula

C19H22N2O4 (C19 H22 N2 O4)

Compound Name

1-(3,5-dimethoxyphenoxy)-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propan-2-ol

IUPAC name

1-(35-dimethoxyphenoxy)-3-(2-methyl-1H-13-benzodiazol-1-yl)propan-2-ol

SMILES

Cc1nc(cccc2)c2n1CC(COc1cc(OC)cc(OC)c1)O

InChI

InChI=1S/C19H22N2O4/c1-13-20-18-6-4-5-7-19(18)21(13)11-14(22)12-25-17-9-15(23-2)8-16(10-17)24-3/h4-10,14,22H,11-12H2,1-3H3/t14-/m0/s1

InChI Key

LSHIXIYCFYAHPH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05241140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.28

Polar Surface Area

50.150

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

6814-0010 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 6814-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6814-0010?
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What is the minimum amount of 6814-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6814-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6814-0010
  • 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 6814-0010 available by request