3086-0049 Screening compound: 3-ethoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

3086-0049 Screening compound: 3-ethoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
3086-0049 Screening compound: 3-ethoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3086-0049
3-ethoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

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

3086-0049

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

3-ethoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

3-ethoxy-N-[5-(2-methylphenyl)-134-thiadiazol-2-yl]benzamide

SMILES

CCOc1cccc(C(Nc2nnc(-c3c(C)cccc3)s2)=O)c1

InChI

InChI=1S/C18H17N3O2S/c1-3-23-14-9-6-8-13(11-14)16(22)19-18-21-20-17(24-18)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,19,21,22)

InChI Key

NXOHCXAAQGDNGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01929220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.30

Polar Surface Area

53.727

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3086-0049 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3086-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3086-0049?
Check Price and Availability of 3086-0049, 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 3086-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3086-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3086-0049
  • 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 3086-0049 available by request