8020-3959 Screening compound: 5-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

8020-3959 Screening compound: 5-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
8020-3959 Screening compound: 5-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3959
5-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-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

8020-3959

Molecular Formula

C21H19ClN4O4 (C21 H19 ClN4 O4)

Compound Name

5-{[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

IUPAC name

5-{[5-(4-chlorophenyl)-124-oxadiazol-3-yl]methyl}-N-[(4-methoxyphenyl)methyl]-45-dihydro-12-oxazole-3-carboxamide

SMILES

COc1ccc(CNC(C2=NOC(Cc3noc(-c(cc4)ccc4Cl)n3)C2)=O)cc1

InChI

InChI=1S/C21H19ClN4O4/c1-28-16-8-2-13(3-9-16)12-23-20(27)18-10-17(29-25-18)11-19-24-21(30-26-19)14-4-6-15(22)7-5-14/h2-9,17H,10-12H2,1H3,(H,23,27)/t17-/m1/s1

InChI Key

YKYLCUGFMZZNKY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD25975559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-4.50

Polar Surface Area

87.699

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8020-3959 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8020-3959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3959?
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What is the minimum amount of 8020-3959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3959
  • 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 8020-3959 available by request