6747-0111 Screening compound: propyl 4-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propoxy]benzoate

6747-0111 Screening compound: propyl 4-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propoxy]benzoate
6747-0111 Screening compound: propyl 4-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propoxy]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6747-0111
propyl 4-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propoxy]benzoate

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

6747-0111

Molecular Formula

C21H24N2O4 (C21 H24 N2 O4)

Compound Name

propyl 4-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propoxy]benzoate

IUPAC name

propyl 4-[2-hydroxy-3-(2-methyl-1H-13-benzodiazol-1-yl)propoxy]benzoate

SMILES

CCCOC(c(cc1)ccc1OCC(Cn1c(cccc2)c2nc1C)O)=O

InChI

InChI=1S/C21H24N2O4/c1-3-12-26-21(25)16-8-10-18(11-9-16)27-14-17(24)13-23-15(2)22-19-6-4-5-7-20(19)23/h4-11,17,24H,3,12-14H2,1-2H3/t17-/m0/s1

InChI Key

QNZOTDNRZPLCGQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01409397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.29

Polar Surface Area

56.111

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6747-0111 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6747-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6747-0111?
Check Price and Availability of 6747-0111, 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 6747-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6747-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6747-0111
  • 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 6747-0111 available by request