Y205-8521 Screening compound: N~1~-[1-(2-chlorobenzyl)-1H-1,2,4-triazol-3-yl]-3-nitro-1-benzenesulfonamide

Y205-8521 Screening compound: N~1~-[1-(2-chlorobenzyl)-1H-1,2,4-triazol-3-yl]-3-nitro-1-benzenesulfonamide
Y205-8521 Screening compound: N~1~-[1-(2-chlorobenzyl)-1H-1,2,4-triazol-3-yl]-3-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-8521
N~1~-[1-(2-chlorobenzyl)-1H-1,2,4-triazol-3-yl]-3-nitro-1-benzenesulfonamide

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

Y205-8521

Molecular Formula

C15H12ClN5O4S (C15 H12 ClN5 O4 S)

Compound Name

N~1~-[1-(2-chlorobenzyl)-1H-1,2,4-triazol-3-yl]-3-nitro-1-benzenesulfonamide

IUPAC name

N-{1-[(2-chlorophenyl)methyl]-1H-124-triazol-3-yl}-3-nitrobenzene-1-sulfonamide

SMILES

[O-][N+](c1cccc(S(Nc2nn(Cc(cccc3)c3Cl)cn2)(=O)=O)c1)=O

InChI

InChI=1S/C15H12ClN5O4S/c16-14-7-2-1-4-11(14)9-20-10-17-15(18-20)19-26(24,25)13-6-3-5-12(8-13)21(22)23/h1-8,10H,9H2,(H,18,19)

InChI Key

QDUPSUQUURZDMP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.81

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

-0.259

Water Solubility, LogSw

-3.53

Polar Surface Area

99.491

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

References: we are preparing a list of scientific research reports with Y205-8521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-8521?
Check Price and Availability of Y205-8521, 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 Y205-8521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-8521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-8521
  • 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 Y205-8521 available by request