8018-5321 Screening compound: 1-(2-chlorophenyl)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,4-dihydro-5H-1,2,3,4-tetraazol-5-one

8018-5321 Screening compound: 1-(2-chlorophenyl)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,4-dihydro-5H-1,2,3,4-tetraazol-5-one
8018-5321 Screening compound: 1-(2-chlorophenyl)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,4-dihydro-5H-1,2,3,4-tetraazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5321
1-(2-chlorophenyl)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,4-dihydro-5H-1,2,3,4-tetraazol-5-one

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

8018-5321

Molecular Formula

C17H13ClN4O4 (C17 H13 ClN4 O4)

Compound Name

1-(2-chlorophenyl)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,4-dihydro-5H-1,2,3,4-tetraazol-5-one

IUPAC name

1-(2-chlorophenyl)-4-[2-(23-dihydro-14-benzodioxin-6-yl)-2-oxoethyl]-45-dihydro-1H-1234-tetrazol-5-one

SMILES

O=C(CN(C1=O)N=NN1c(cccc1)c1Cl)c(cc1)cc2c1OCCO2

InChI

InChI=1S/C17H13ClN4O4/c18-12-3-1-2-4-13(12)22-17(24)21(19-20-22)10-14(23)11-5-6-15-16(9-11)26-8-7-25-15/h1-6,9H,7-8,10H2

InChI Key

GZHPCQBVFJILNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-3.21

Polar Surface Area

73.813

Acid Dissociation Constant (pKa)

17.18

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8018-5321 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-5321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5321?
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What is the minimum amount of 8018-5321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5321
  • 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 8018-5321 available by request