L083-0505 Screening compound: N-(3-chlorophenyl)-5-{[4-(cyclopropylcarbamoyl)phenoxy]methyl}-1,3,4-thiadiazole-2-carboxamide

L083-0505 Screening compound: N-(3-chlorophenyl)-5-{[4-(cyclopropylcarbamoyl)phenoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
L083-0505 Screening compound: N-(3-chlorophenyl)-5-{[4-(cyclopropylcarbamoyl)phenoxy]methyl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L083-0505
N-(3-chlorophenyl)-5-{[4-(cyclopropylcarbamoyl)phenoxy]methyl}-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

L083-0505

Molecular Formula

C20H17ClN4O3S (C20 H17 ClN4 O3 S)

Compound Name

N-(3-chlorophenyl)-5-{[4-(cyclopropylcarbamoyl)phenoxy]methyl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(3-chlorophenyl)-5-{[4-(cyclopropylcarbamoyl)phenoxy]methyl}-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(COc(cc2)ccc2C(NC2CC2)=O)s1)Nc1cccc(Cl)c1

InChI

InChI=1S/C20H17ClN4O3S/c21-13-2-1-3-15(10-13)23-19(27)20-25-24-17(29-20)11-28-16-8-4-12(5-9-16)18(26)22-14-6-7-14/h1-5,8-10,14H,6-7,11H2,(H,22,26)(H,23,27)

InChI Key

PLOSSCOERWPEOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-4.01

Polar Surface Area

79.026

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L083-0505 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 L083-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L083-0505?
Check Price and Availability of L083-0505, 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 L083-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L083-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L083-0505
  • 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 L083-0505 available by request