0180-0386 Screening compound: 4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl]-[1,1'-biphenyl]-4-sulfonamide

0180-0386 Screening compound: 4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl]-[1,1'-biphenyl]-4-sulfonamide
0180-0386 Screening compound: 4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl]-[1,1'-biphenyl]-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0386
4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl]-[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

0180-0386

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl]-[1,1'-biphenyl]-4-sulfonamide

IUPAC name

4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl]-[11'-biphenyl]-4-sulfonamide

SMILES

[O-][N+](c(cc1)ccc1-c(cc1)ccc1S(NCCN1CCCC1)(=O)=O)=O

InChI

InChI=1S/C18H21N3O4S/c22-21(23)17-7-3-15(4-8-17)16-5-9-18(10-6-16)26(24,25)19-11-14-20-12-1-2-13-20/h3-10,19H,1-2,11-14H2

InChI Key

FTFFGSFIZWGJIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

2.481

Water Solubility, LogSw

-4.01

Polar Surface Area

79.297

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

8.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0180-0386 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0180-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0386?
Check Price and Availability of 0180-0386, 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 0180-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0386
  • 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 0180-0386 available by request