Y500-1096 Screening compound: N-[5-(aminosulfonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide

Y500-1096 Screening compound: N-[5-(aminosulfonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
Y500-1096 Screening compound: N-[5-(aminosulfonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-1096
N-[5-(aminosulfonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide

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

Y500-1096

Molecular Formula

C15H15N3O5S (C15 H15 N3 O5 S)

Compound Name

N-[5-(aminosulfonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide

IUPAC name

3-methyl-N-(2-methyl-5-sulfamoylphenyl)-4-nitrobenzamide

SMILES

Cc(ccc(S(N)(=O)=O)c1)c1NC(c(cc1)cc(C)c1[N+]([O-])=O)=O

InChI

InChI=1S/C15H15N3O5S/c1-9-3-5-12(24(16,22)23)8-13(9)17-15(19)11-4-6-14(18(20)21)10(2)7-11/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)

InChI Key

CCUIPOCPQDANHT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.065

Distribution Coefficient, logD

2.025

Water Solubility, LogSw

-2.86

Polar Surface Area

106.316

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y500-1096 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y500-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-1096?
Check Price and Availability of Y500-1096, 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 Y500-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-1096
  • 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 Y500-1096 available by request