Y500-6543 Screening compound: 4-nitro-N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]benzamide

Y500-6543 Screening compound: 4-nitro-N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]benzamide
Y500-6543 Screening compound: 4-nitro-N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6543
4-nitro-N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]benzamide

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

Y500-6543

Molecular Formula

C18H12N4O5S (C18 H12 N4 O5 S)

Compound Name

4-nitro-N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]benzamide

IUPAC name

4-nitro-N-[3-nitro-5-(pyridin-2-ylsulfanyl)phenyl]benzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc1cc(Sc2ncccc2)cc([N+]([O-])=O)c1)=O)=O

InChI

InChI=1S/C18H12N4O5S/c23-18(12-4-6-14(7-5-12)21(24)25)20-13-9-15(22(26)27)11-16(10-13)28-17-3-1-2-8-19-17/h1-11H,(H,20,23)

InChI Key

GJIQRTKBWPFDJQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.038

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.41

Polar Surface Area

98.230

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with Y500-6543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6543?
Check Price and Availability of Y500-6543, 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 Y500-6543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6543
  • 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 Y500-6543 available by request