Y032-0641 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-nitrobenzamide

Y032-0641 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-nitrobenzamide
Y032-0641 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0641
N-[4-(aminosulfonyl)benzyl]-3-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

Y032-0641

Molecular Formula

C14H13N3O5S (C14 H13 N3 O5 S)

Compound Name

N-[4-(aminosulfonyl)benzyl]-3-nitrobenzamide

IUPAC name

3-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide

SMILES

NS(c1ccc(CNC(c2cc([N+]([O-])=O)ccc2)=O)cc1)(=O)=O

InChI

InChI=1S/C14H13N3O5S/c15-23(21,22)13-6-4-10(5-7-13)9-16-14(18)11-2-1-3-12(8-11)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)

InChI Key

KSLSLQWEZGEJRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00862535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.993

Distribution Coefficient, logD

0.992

Water Solubility, LogSw

-2.39

Polar Surface Area

108.636

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

Y032-0641 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 Y032-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0641?
Check Price and Availability of Y032-0641, 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 Y032-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0641
  • 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 Y032-0641 available by request