8011-5412 Screening compound: N-{3-[(2-chloro-4-nitrophenyl)amino]-2,2-dimethylpropyl}methanesulfonamide

8011-5412 Screening compound: N-{3-[(2-chloro-4-nitrophenyl)amino]-2,2-dimethylpropyl}methanesulfonamide
8011-5412 Screening compound: N-{3-[(2-chloro-4-nitrophenyl)amino]-2,2-dimethylpropyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5412
N-{3-[(2-chloro-4-nitrophenyl)amino]-2,2-dimethylpropyl}methanesulfonamide

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

8011-5412

Molecular Formula

C12H18ClN3O4S (C12 H18 ClN3 O4 S)

Compound Name

N-{3-[(2-chloro-4-nitrophenyl)amino]-2,2-dimethylpropyl}methanesulfonamide

IUPAC name

N-{3-[(2-chloro-4-nitrophenyl)amino]-22-dimethylpropyl}methanesulfonamide

SMILES

CC(C)(CNc(ccc([N+]([O-])=O)c1)c1Cl)CNS(C)(=O)=O

InChI

InChI=1S/C12H18ClN3O4S/c1-12(2,8-15-21(3,19)20)7-14-11-5-4-9(16(17)18)6-10(11)13/h4-6,14-15H,7-8H2,1-3H3

InChI Key

NGAQVSJGAFWSDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.53

Polar Surface Area

86.404

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8011-5412 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 8011-5412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5412?
Check Price and Availability of 8011-5412, 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 8011-5412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5412
  • 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 8011-5412 available by request