Y500-4553 Screening compound: N-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-4-fluorobenzamide

Y500-4553 Screening compound: N-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-4-fluorobenzamide
Y500-4553 Screening compound: N-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-4553
N-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-4-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

Y500-4553

Molecular Formula

C16H11Cl2FN4O (C16 H11 Cl2 FN4 O)

Compound Name

N-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-4-fluorobenzamide

IUPAC name

N-{1-[(34-dichlorophenyl)methyl]-1H-124-triazol-3-yl}-4-fluorobenzamide

SMILES

O=C(c(cc1)ccc1F)Nc1nn(Cc(cc2)cc(Cl)c2Cl)cn1

InChI

InChI=1S/C16H11Cl2FN4O/c17-13-6-1-10(7-14(13)18)8-23-9-20-16(22-23)21-15(24)11-2-4-12(19)5-3-11/h1-7,9H,8H2,(H,21,22,24)

InChI Key

RCDVQXHKWHSFGN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.049

Distribution Coefficient, logD

3.464

Water Solubility, LogSw

-4.38

Polar Surface Area

48.551

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

References: we are preparing a list of scientific research reports with Y500-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-4553?
Check Price and Availability of Y500-4553, 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 Y500-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-4553
  • 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 Y500-4553 available by request