6747-0134 Screening compound: 1-(1H-1,3-benzodiazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol

6747-0134 Screening compound: 1-(1H-1,3-benzodiazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol
6747-0134 Screening compound: 1-(1H-1,3-benzodiazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6747-0134
1-(1H-1,3-benzodiazol-1-yl)-3-(3-ethyl-5-methylphenoxy)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

6747-0134

Molecular Formula

C19H22N2O2 (C19 H22 N2 O2)

Compound Name

1-(1H-1,3-benzodiazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol

IUPAC name

1-(1H-13-benzodiazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol

SMILES

CCc1cc(C)cc(OCC(Cn2c(cccc3)c3nc2)O)c1

InChI

InChI=1S/C19H22N2O2/c1-3-15-8-14(2)9-17(10-15)23-12-16(22)11-21-13-20-18-6-4-5-7-19(18)21/h4-10,13,16,22H,3,11-12H2,1-2H3/t16-/m0/s1

InChI Key

LXQJTCHKMKQVEH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00396324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.176

Water Solubility, LogSw

-4.17

Polar Surface Area

34.542

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

6747-0134 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6747-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6747-0134?
Check Price and Availability of 6747-0134, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6747-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6747-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6747-0134
  • 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 6747-0134 available by request