5891-0047 Screening compound: 1-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

5891-0047 Screening compound: 1-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole
5891-0047 Screening compound: 1-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5891-0047
1-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]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

5891-0047

Molecular Formula

C25H25FN2O (C25 H25 FN2 O)

Compound Name

1-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

IUPAC name

1-[(4-fluorophenyl)methyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-13-benzodiazole

SMILES

CC(C)c(ccc(C)c1)c1OCc1nc(cccc2)c2n1Cc(cc1)ccc1F

InChI

InChI=1S/C25H25FN2O/c1-17(2)21-13-8-18(3)14-24(21)29-16-25-27-22-6-4-5-7-23(22)28(25)15-19-9-11-20(26)12-10-19/h4-14,17H,15-16H2,1-3H3

InChI Key

DJDMCVTVERCJCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03672699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.773

Distribution Coefficient, logD

6.773

Water Solubility, LogSw

-5.76

Polar Surface Area

18.457

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 5891-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5891-0047?
Check Price and Availability of 5891-0047, 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 5891-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5891-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5891-0047
  • 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 5891-0047 available by request