0831-1257 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide

0831-1257 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
0831-1257 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1257
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide

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

0831-1257

Molecular Formula

C12H13N3O2S (C12 H13 N3 O2 S)

Compound Name

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

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-4-methoxybenzamide

SMILES

CCc1nnc(NC(c(cc2)ccc2OC)=O)s1

InChI

InChI=1S/C12H13N3O2S/c1-3-10-14-15-12(18-10)13-11(16)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15,16)

InChI Key

RGGYCWLBDAMENO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00500746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.694

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-3.08

Polar Surface Area

54.914

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0831-1257 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0831-1257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1257?
Check Price and Availability of 0831-1257, 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 0831-1257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1257
  • 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 0831-1257 available by request