8004-8750 Screening compound: N-{3-[(4-chloro-2-nitrophenyl)amino]propyl}methanesulfonamide

8004-8750 Screening compound: N-{3-[(4-chloro-2-nitrophenyl)amino]propyl}methanesulfonamide
8004-8750 Screening compound: N-{3-[(4-chloro-2-nitrophenyl)amino]propyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8750
N-{3-[(4-chloro-2-nitrophenyl)amino]propyl}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

8004-8750

Molecular Formula

C10H14ClN3O4S (C10 H14 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CS(NCCCNc(ccc(Cl)c1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C10H14ClN3O4S/c1-19(17,18)13-6-2-5-12-9-4-3-8(11)7-10(9)14(15)16/h3-4,7,12-13H,2,5-6H2,1H3

InChI Key

BBAGHXUQVHCXRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00493207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.76

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

1.877

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-2.92

Polar Surface Area

85.786

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8004-8750 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 8004-8750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8750?
Check Price and Availability of 8004-8750, 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 8004-8750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8750
  • 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 8004-8750 available by request