0831-1226 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide

0831-1226 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide
0831-1226 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1226
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide

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

0831-1226

Molecular Formula

C10H7N5O5S (C10 H7 N5 O5 S)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-24-dinitrobenzamide

SMILES

Cc1nnc(NC(c(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)=O)s1

InChI

InChI=1S/C10H7N5O5S/c1-5-12-13-10(21-5)11-9(16)7-3-2-6(14(17)18)4-8(7)15(19)20/h2-4H,1H3,(H,11,13,16)

InChI Key

DMICXPOKQAPOFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00660357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.26

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.741

Distribution Coefficient, logD

-1.553

Water Solubility, LogSw

-2.71

Polar Surface Area

113.143

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 0831-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1226?
Check Price and Availability of 0831-1226, 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 0831-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1226
  • 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 0831-1226 available by request