F854-0240 Screening compound: 5-methyl-N-(3-{[(3,4,5-triethoxyphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

F854-0240 Screening compound: 5-methyl-N-(3-{[(3,4,5-triethoxyphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
F854-0240 Screening compound: 5-methyl-N-(3-{[(3,4,5-triethoxyphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F854-0240
5-methyl-N-(3-{[(3,4,5-triethoxyphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

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

F854-0240

Molecular Formula

C24H28N4O5S (C24 H28 N4 O5 S)

Compound Name

5-methyl-N-(3-{[(3,4,5-triethoxyphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-methyl-N-(3-{[(345-triethoxyphenyl)methyl]carbamoyl}phenyl)-134-thiadiazole-2-carboxamide

SMILES

CCOc1cc(CNC(c2cccc(NC(c3nnc(C)s3)=O)c2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C24H28N4O5S/c1-5-31-19-11-16(12-20(32-6-2)21(19)33-7-3)14-25-22(29)17-9-8-10-18(13-17)26-23(30)24-28-27-15(4)34-24/h8-13H,5-7,14H2,1-4H3,(H,25,29)(H,26,30)

InChI Key

WVFLESKMJXYNPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.37

Polar Surface Area

92.771

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F854-0240 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F854-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F854-0240?
Check Price and Availability of F854-0240, 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 F854-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F854-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F854-0240
  • 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 F854-0240 available by request