L083-1156 Screening compound: N-(2-fluorophenyl)-5-({4-[(2-methoxyphenyl)carbamoyl]phenoxy}methyl)-1,3,4-thiadiazole-2-carboxamide

L083-1156 Screening compound: N-(2-fluorophenyl)-5-({4-[(2-methoxyphenyl)carbamoyl]phenoxy}methyl)-1,3,4-thiadiazole-2-carboxamide
L083-1156 Screening compound: N-(2-fluorophenyl)-5-({4-[(2-methoxyphenyl)carbamoyl]phenoxy}methyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L083-1156
N-(2-fluorophenyl)-5-({4-[(2-methoxyphenyl)carbamoyl]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

L083-1156

Molecular Formula

C24H19FN4O4S (C24 H19 FN4 O4 S)

Compound Name

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

IUPAC name

N-(2-fluorophenyl)-5-({4-[(2-methoxyphenyl)carbamoyl]phenoxy}methyl)-134-thiadiazole-2-carboxamide

SMILES

COc(cccc1)c1NC(c(cc1)ccc1OCc1nnc(C(Nc(cccc2)c2F)=O)s1)=O

InChI

InChI=1S/C24H19FN4O4S/c1-32-20-9-5-4-8-19(20)27-22(30)15-10-12-16(13-11-15)33-14-21-28-29-24(34-21)23(31)26-18-7-3-2-6-17(18)25/h2-13H,14H2,1H3,(H,26,31)(H,27,30)

InChI Key

CZPCAYUAPBQKGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.22

Polar Surface Area

83.883

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

L083-1156 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 L083-1156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L083-1156?
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What is the minimum amount of L083-1156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L083-1156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L083-1156
  • 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 L083-1156 available by request