5903-0004 Screening compound: 1-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-2-yl acetate

5903-0004 Screening compound: 1-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-2-yl acetate
5903-0004 Screening compound: 1-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5903-0004
1-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-2-yl acetate

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

5903-0004

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

1-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3-phenoxypropan-2-yl acetate

IUPAC name

1-(56-dimethyl-1H-13-benzodiazol-1-yl)-3-phenoxypropan-2-yl acetate

SMILES

CC(OC(Cn1c(cc(C)c(C)c2)c2nc1)COc1ccccc1)=O

InChI

InChI=1S/C20H22N2O3/c1-14-9-19-20(10-15(14)2)22(13-21-19)11-18(25-16(3)23)12-24-17-7-5-4-6-8-17/h4-10,13,18H,11-12H2,1-3H3/t18-/m0/s1

InChI Key

PUUAMONTBMYWJK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14710907

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-3.97

Polar Surface Area

38.223

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

5903-0004 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5903-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5903-0004?
Check Price and Availability of 5903-0004, 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 5903-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5903-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5903-0004
  • 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 5903-0004 available by request