Y502-4014 Screening compound: N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dimethoxybenzamide

Y502-4014 Screening compound: N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dimethoxybenzamide
Y502-4014 Screening compound: N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-4014
N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dimethoxybenzamide

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

Y502-4014

Molecular Formula

C18H16ClFN4O3 (C18 H16 ClFN4 O3)

Compound Name

N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dimethoxybenzamide

IUPAC name

N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-124-triazol-3-yl}-23-dimethoxybenzamide

SMILES

COc1cccc(C(Nc2nn(Cc(c(F)ccc3)c3Cl)cn2)=O)c1OC

InChI

InChI=1S/C18H16ClFN4O3/c1-26-15-8-3-5-11(16(15)27-2)17(25)22-18-21-10-24(23-18)9-12-13(19)6-4-7-14(12)20/h3-8,10H,9H2,1-2H3,(H,22,23,25)

InChI Key

GXSOVJJVPIZPIO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

2.751

Water Solubility, LogSw

-3.63

Polar Surface Area

63.899

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with Y502-4014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-4014?
Check Price and Availability of Y502-4014, 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 Y502-4014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-4014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-4014
  • 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 Y502-4014 available by request