C147-0072 Screening compound: N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-2-methoxyaniline

C147-0072 Screening compound: N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-2-methoxyaniline
C147-0072 Screening compound: N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-2-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C147-0072
N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-2-methoxyaniline

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

C147-0072

Molecular Formula

C22H20FN3O (C22 H20 FN3 O)

Compound Name

N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-2-methoxyaniline

IUPAC name

N-({1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}methyl)-2-methoxyaniline

SMILES

COc(cccc1)c1NCc1nc(cccc2)c2n1Cc(cccc1)c1F

InChI

InChI=1S/C22H20FN3O/c1-27-21-13-7-5-11-19(21)24-14-22-25-18-10-4-6-12-20(18)26(22)15-16-8-2-3-9-17(16)23/h2-13,24H,14-15H2,1H3

InChI Key

PTTYXJIIHGNQDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

5.083

Water Solubility, LogSw

-5.01

Polar Surface Area

28.310

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C147-0072 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C147-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C147-0072?
Check Price and Availability of C147-0072, 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 C147-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C147-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C147-0072
  • 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 C147-0072 available by request