D448-0008 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol

D448-0008 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
D448-0008 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D448-0008
1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(3,5-dimethoxyphenoxy)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

D448-0008

Molecular Formula

C25H26N2O4 (C25 H26 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(OCC(Cn2c(cccc3)c3nc2Cc2ccccc2)O)cc(OC)c1

InChI

InChI=1S/C25H26N2O4/c1-29-20-13-21(30-2)15-22(14-20)31-17-19(28)16-27-24-11-7-6-10-23(24)26-25(27)12-18-8-4-3-5-9-18/h3-11,13-15,19,28H,12,16-17H2,1-2H3/t19-/m0/s1

InChI Key

AMRZNRSUFAYXPW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05240380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.976

Distribution Coefficient, logD

4.976

Water Solubility, LogSw

-4.70

Polar Surface Area

50.078

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

D448-0008 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 D448-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D448-0008?
Check Price and Availability of D448-0008, 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 D448-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D448-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D448-0008
  • 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 D448-0008 available by request