Y502-8839 Screening compound: N~4~-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazole-4-sulfonamide

Y502-8839 Screening compound: N~4~-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazole-4-sulfonamide
Y502-8839 Screening compound: N~4~-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-8839
N~4~-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazole-4-sulfonamide

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

Y502-8839

Molecular Formula

C13H12Cl2N6O2S (C13 H12 Cl2 N6 O2 S)

Compound Name

N~4~-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazole-4-sulfonamide

IUPAC name

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

SMILES

Cn1ncc(S(Nc2nn(Cc(cc3)cc(Cl)c3Cl)cn2)(=O)=O)c1

InChI

InChI=1S/C13H12Cl2N6O2S/c1-20-7-10(5-17-20)24(22,23)19-13-16-8-21(18-13)6-9-2-3-11(14)12(15)4-9/h2-5,7-8H,6H2,1H3,(H,18,19)

InChI Key

HBRZANSFSJCTDX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.851

Distribution Coefficient, logD

1.542

Water Solubility, LogSw

-2.86

Polar Surface Area

80.919

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with Y502-8839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-8839?
Check Price and Availability of Y502-8839, 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 Y502-8839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-8839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-8839
  • 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 Y502-8839 available by request