0435-5658 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide

0435-5658 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide
0435-5658 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0435-5658
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide

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

0435-5658

Molecular Formula

C12H12N4O3S (C12 H12 N4 O3 S)

Compound Name

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

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide

SMILES

CCc1nnc(NC(c2cc([N+]([O-])=O)c(C)cc2)=O)s1

InChI

InChI=1S/C12H12N4O3S/c1-3-10-14-15-12(20-10)13-11(17)8-5-4-7(2)9(6-8)16(18)19/h4-6H,3H2,1-2H3,(H,13,15,17)

InChI Key

LMKCPMMJOQLHHX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

1.164

Water Solubility, LogSw

-3.41

Polar Surface Area

80.450

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 0435-5658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0435-5658?
Check Price and Availability of 0435-5658, 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 0435-5658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0435-5658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0435-5658
  • 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 0435-5658 available by request