L452-0041 Screening compound: N-(3-fluorophenyl)-5-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

L452-0041 Screening compound: N-(3-fluorophenyl)-5-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
L452-0041 Screening compound: N-(3-fluorophenyl)-5-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L452-0041
N-(3-fluorophenyl)-5-(4-{[(4-methylphenyl)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

L452-0041

Molecular Formula

C24H19FN4O2S (C24 H19 FN4 O2 S)

Compound Name

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

IUPAC name

N-(3-fluorophenyl)-5-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-134-thiadiazole-2-carboxamide

SMILES

Cc1ccc(CNC(c(cc2)ccc2-c2nnc(C(Nc3cc(F)ccc3)=O)s2)=O)cc1

InChI

InChI=1S/C24H19FN4O2S/c1-15-5-7-16(8-6-15)14-26-21(30)17-9-11-18(12-10-17)23-28-29-24(32-23)22(31)27-20-4-2-3-19(25)13-20/h2-13H,14H2,1H3,(H,26,30)(H,27,31)

InChI Key

RDSMAHILDGFLDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.39

Polar Surface Area

70.975

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

L452-0041 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L452-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L452-0041?
Check Price and Availability of L452-0041, 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 L452-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L452-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L452-0041
  • 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 L452-0041 available by request