D462-0502 Screening compound: N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]-2-fluorobenzamide

D462-0502 Screening compound: N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]-2-fluorobenzamide
D462-0502 Screening compound: N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0502
N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]-2-fluorobenzamide

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

D462-0502

Molecular Formula

C21H19FN2O (C21 H19 FN2 O)

Compound Name

N-[(3,4-dimethylphenyl)(pyridin-3-yl)methyl]-2-fluorobenzamide

IUPAC name

N-[(34-dimethylphenyl)(pyridin-3-yl)methyl]-2-fluorobenzamide

SMILES

Cc1c(C)cc(C(c2cnccc2)NC(c(cccc2)c2F)=O)cc1

InChI

InChI=1S/C21H19FN2O/c1-14-9-10-16(12-15(14)2)20(17-6-5-11-23-13-17)24-21(25)18-7-3-4-8-19(18)22/h3-13,20H,1-2H3,(H,24,25)/t20-/m0/s1

InChI Key

MDQBVIVVSLASDZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14830042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.25

Polar Surface Area

33.250

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D462-0502 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D462-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0502?
Check Price and Availability of D462-0502, 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 D462-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0502
  • 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 D462-0502 available by request