D273-0058 Screening compound: 2-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)-5-methoxy-1-methyl-1H-1,3-benzodiazole

D273-0058 Screening compound: 2-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)-5-methoxy-1-methyl-1H-1,3-benzodiazole
D273-0058 Screening compound: 2-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)-5-methoxy-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D273-0058
2-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)-5-methoxy-1-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

D273-0058

Molecular Formula

C27H28F2N4O (C27 H28 F2 N4 O)

Compound Name

2-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)-5-methoxy-1-methyl-1H-1,3-benzodiazole

IUPAC name

2-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)-5-methoxy-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(ccc(OC)c2)c2nc1CN(CC1)CCN1C(c(cc1)ccc1F)c(cc1)ccc1F

InChI

InChI=1S/C27H28F2N4O/c1-31-25-12-11-23(34-2)17-24(25)30-26(31)18-32-13-15-33(16-14-32)27(19-3-7-21(28)8-4-19)20-5-9-22(29)10-6-20/h3-12,17,27H,13-16,18H2,1-2H3

InChI Key

JORXSQIBVMMADQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.584

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.39

Polar Surface Area

26.063

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

D273-0058 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D273-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D273-0058?
Check Price and Availability of D273-0058, 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 D273-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D273-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D273-0058
  • 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 D273-0058 available by request