S400-0004 Screening compound: 2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine

S400-0004 Screening compound: 2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine
S400-0004 Screening compound: 2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S400-0004
2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine

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

S400-0004

Molecular Formula

C12H11N3O4S (C12 H11 N3 O4 S)

Compound Name

2-[(2-methylphenyl)sulfanyl]-3,5-dinitro-1,4-dihydropyridine

IUPAC name

2-[(2-methylphenyl)sulfanyl]-35-dinitro-14-dihydropyridine

SMILES

Cc(cccc1)c1SC(NC=C(C1)[N+]([O-])=O)=C1[N+]([O-])=O

InChI

InChI=1S/C12H11N3O4S/c1-8-4-2-3-5-11(8)20-12-10(15(18)19)6-9(7-13-12)14(16)17/h2-5,7,13H,6H2,1H3

InChI Key

SCNWSWWEWNXXLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.557

Distribution Coefficient, logD

-0.564

Water Solubility, LogSw

-2.55

Polar Surface Area

77.760

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with S400-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S400-0004?
Check Price and Availability of S400-0004, 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 S400-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S400-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S400-0004
  • 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 S400-0004 available by request