S400-0015 Screening compound: methyl 2-[(3,5-dinitropyridin-2-yl)sulfanyl]acetate

S400-0015 Screening compound: methyl 2-[(3,5-dinitropyridin-2-yl)sulfanyl]acetate
S400-0015 Screening compound: methyl 2-[(3,5-dinitropyridin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S400-0015
methyl 2-[(3,5-dinitropyridin-2-yl)sulfanyl]acetate

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

S400-0015

Molecular Formula

C8H7N3O6S (C8 H7 N3 O6 S)

Compound Name

methyl 2-[(3,5-dinitropyridin-2-yl)sulfanyl]acetate

IUPAC name

methyl 2-[(35-dinitropyridin-2-yl)sulfanyl]acetate

SMILES

COC(CSc(c([N+]([O-])=O)c1)ncc1[N+]([O-])=O)=O

InChI

InChI=1S/C8H7N3O6S/c1-17-7(12)4-18-8-6(11(15)16)2-5(3-9-8)10(13)14/h2-3H,4H2,1H3

InChI Key

KMEWXMPHQIPVOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.23

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.122

Distribution Coefficient, logD

1.122

Water Solubility, LogSw

-2.13

Polar Surface Area

96.548

Acid Dissociation Constant (pKa)

20.57

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with S400-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S400-0015?
Check Price and Availability of S400-0015, 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 S400-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S400-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S400-0015
  • 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 S400-0015 available by request