L083-0223 Screening compound: N-(4-fluorophenyl)-5-({4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy}methyl)-1,3,4-thiadiazole-2-carboxamide

L083-0223 Screening compound: N-(4-fluorophenyl)-5-({4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy}methyl)-1,3,4-thiadiazole-2-carboxamide
L083-0223 Screening compound: N-(4-fluorophenyl)-5-({4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy}methyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L083-0223
N-(4-fluorophenyl)-5-({4-[(2-methoxy-5-methylphenyl)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

L083-0223

Molecular Formula

C25H21FN4O4S (C25 H21 FN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(NC(c(cc2)ccc2OCc2nnc(C(Nc(cc3)ccc3F)=O)s2)=O)c1OC

InChI

InChI=1S/C25H21FN4O4S/c1-15-3-12-21(33-2)20(13-15)28-23(31)16-4-10-19(11-5-16)34-14-22-29-30-25(35-22)24(32)27-18-8-6-17(26)7-9-18/h3-13H,14H2,1-2H3,(H,27,32)(H,28,31)

InChI Key

RCRUVOVVIGWDBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

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

4.175

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.27

Polar Surface Area

84.580

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

L083-0223 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L083-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L083-0223?
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What is the minimum amount of L083-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L083-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L083-0223
  • 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 L083-0223 available by request