8007-8529 Screening compound: methyl 2-[(4-methyl-3,5-dinitrophenyl)sulfanyl]acetate

8007-8529 Screening compound: methyl 2-[(4-methyl-3,5-dinitrophenyl)sulfanyl]acetate
8007-8529 Screening compound: methyl 2-[(4-methyl-3,5-dinitrophenyl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8529
methyl 2-[(4-methyl-3,5-dinitrophenyl)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

8007-8529

Molecular Formula

C10H10N2O6S (C10 H10 N2 O6 S)

Compound Name

methyl 2-[(4-methyl-3,5-dinitrophenyl)sulfanyl]acetate

IUPAC name

methyl 2-[(4-methyl-35-dinitrophenyl)sulfanyl]acetate

SMILES

Cc(c([N+]([O-])=O)cc(SCC(OC)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C10H10N2O6S/c1-6-8(11(14)15)3-7(4-9(6)12(16)17)19-5-10(13)18-2/h3-4H,5H2,1-2H3

InChI Key

ZQYNCFJWJOJDRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.27

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-2.24

Polar Surface Area

86.978

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8007-8529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8529?
Check Price and Availability of 8007-8529, 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 8007-8529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8529
  • 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 8007-8529 available by request