0338-0061 Screening compound: N-{4-[(Z)-{[2-(4-nitrobenzenesulfonamido)acetamido]imino}methyl]phenyl}acetamide

0338-0061 Screening compound: N-{4-[(Z)-{[2-(4-nitrobenzenesulfonamido)acetamido]imino}methyl]phenyl}acetamide
0338-0061 Screening compound: N-{4-[(Z)-{[2-(4-nitrobenzenesulfonamido)acetamido]imino}methyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0338-0061
N-{4-[(Z)-{[2-(4-nitrobenzenesulfonamido)acetamido]imino}methyl]phenyl}acetamide

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

0338-0061

Molecular Formula

C17H17N5O6S (C17 H17 N5 O6 S)

Compound Name

N-{4-[(Z)-{[2-(4-nitrobenzenesulfonamido)acetamido]imino}methyl]phenyl}acetamide

IUPAC name

N-{4-[(Z)-{[2-(4-nitrobenzenesulfonamido)acetamido]imino}methyl]phenyl}acetamide

SMILES

CC(Nc1ccc(/C=N\NC(CNS(c(cc2)ccc2[N+]([O-])=O)(=O)=O)=O)cc1)=O

InChI

InChI=1S/C17H17N5O6S/c1-12(23)20-14-4-2-13(3-5-14)10-18-21-17(24)11-19-29(27,28)16-8-6-15(7-9-16)22(25)26/h2-10,19H,11H2,1H3,(H,20,23)(H,21,24)

InChI Key

ICCDTLCQGJCGGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.42

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.284

Distribution Coefficient, logD

1.281

Water Solubility, LogSw

-2.40

Polar Surface Area

134.014

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0338-0061 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0338-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0338-0061?
Check Price and Availability of 0338-0061, 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 0338-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0338-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0338-0061
  • 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 0338-0061 available by request