5267-0117 Screening compound: 2-[(2-methoxyphenoxy)methyl]-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole

5267-0117 Screening compound: 2-[(2-methoxyphenoxy)methyl]-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole
5267-0117 Screening compound: 2-[(2-methoxyphenoxy)methyl]-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5267-0117
2-[(2-methoxyphenoxy)methyl]-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole

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

5267-0117

Molecular Formula

C23H22N2O2 (C23 H22 N2 O2)

Compound Name

2-[(2-methoxyphenoxy)methyl]-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-[(2-methoxyphenoxy)methyl]-1-[(4-methylphenyl)methyl]-1H-13-benzodiazole

SMILES

Cc1ccc(Cn2c(cccc3)c3nc2COc(cccc2)c2OC)cc1

InChI

InChI=1S/C23H22N2O2/c1-17-11-13-18(14-12-17)15-25-20-8-4-3-7-19(20)24-23(25)16-27-22-10-6-5-9-21(22)26-2/h3-14H,15-16H2,1-2H3

InChI Key

QSTZKFZJMSLJHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03130094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.133

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-5.16

Polar Surface Area

26.088

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

5267-0117 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5267-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5267-0117?
Check Price and Availability of 5267-0117, 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 5267-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5267-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5267-0117
  • 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 5267-0117 available by request