8014-9788 Screening compound: 1-[(4-fluorophenyl)methyl]-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazole

8014-9788 Screening compound: 1-[(4-fluorophenyl)methyl]-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazole
8014-9788 Screening compound: 1-[(4-fluorophenyl)methyl]-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9788
1-[(4-fluorophenyl)methyl]-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-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

8014-9788

Molecular Formula

C26H27FN2 (C26 H27 FN2)

Compound Name

1-[(4-fluorophenyl)methyl]-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazole

IUPAC name

1-[(4-fluorophenyl)methyl]-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-13-benzodiazole

SMILES

CC(C)Cc1ccc(C(C)c2nc(cccc3)c3n2Cc(cc2)ccc2F)cc1

InChI

InChI=1S/C26H27FN2/c1-18(2)16-20-8-12-22(13-9-20)19(3)26-28-24-6-4-5-7-25(24)29(26)17-21-10-14-23(27)15-11-21/h4-15,18-19H,16-17H2,1-3H3/t19-/m1/s1

InChI Key

PVANBSOAJRYZAT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03669399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.51

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.659

Distribution Coefficient, logD

7.655

Water Solubility, LogSw

-6.06

Polar Surface Area

9.895

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

8014-9788 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8014-9788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9788?
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What is the minimum amount of 8014-9788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9788
  • 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 8014-9788 available by request