D448-0013 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(2-chlorophenoxy)propan-2-ol

D448-0013 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(2-chlorophenoxy)propan-2-ol
D448-0013 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(2-chlorophenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D448-0013
1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(2-chlorophenoxy)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

D448-0013

Molecular Formula

C23H21ClN2O2 (C23 H21 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

OC(Cn1c(cccc2)c2nc1Cc1ccccc1)COc(cccc1)c1Cl

InChI

InChI=1S/C23H21ClN2O2/c24-19-10-4-7-13-22(19)28-16-18(27)15-26-21-12-6-5-11-20(21)25-23(26)14-17-8-2-1-3-9-17/h1-13,18,27H,14-16H2/t18-/m0/s1

InChI Key

OERCQOKZAUAKQL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02582756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.466

Water Solubility, LogSw

-5.72

Polar Surface Area

35.077

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

D448-0013 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D448-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D448-0013?
Check Price and Availability of D448-0013, 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 D448-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D448-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D448-0013
  • 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 D448-0013 available by request