0180-0392 Screening compound: N-(2-cyanoethyl)-N-methyl-4'-nitro-[1,1'-biphenyl]-4-sulfonamide

0180-0392 Screening compound: N-(2-cyanoethyl)-N-methyl-4'-nitro-[1,1'-biphenyl]-4-sulfonamide
0180-0392 Screening compound: N-(2-cyanoethyl)-N-methyl-4'-nitro-[1,1'-biphenyl]-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0392
N-(2-cyanoethyl)-N-methyl-4'-nitro-[1,1'-biphenyl]-4-sulfonamide

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

0180-0392

Molecular Formula

C16H15N3O4S (C16 H15 N3 O4 S)

Compound Name

N-(2-cyanoethyl)-N-methyl-4'-nitro-[1,1'-biphenyl]-4-sulfonamide

IUPAC name

N-(2-cyanoethyl)-N-methyl-4'-nitro-[11'-biphenyl]-4-sulfonamide

SMILES

CN(CCC#N)S(c(cc1)ccc1-c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C16H15N3O4S/c1-18(12-2-11-17)24(22,23)16-9-5-14(6-10-16)13-3-7-15(8-4-13)19(20)21/h3-10H,2,12H2,1H3

InChI Key

AUICVIVIEGJBBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.63

Polar Surface Area

83.654

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 0180-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0392?
Check Price and Availability of 0180-0392, 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 0180-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0392
  • 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 0180-0392 available by request