E595-0198 Screening compound: 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine

E595-0198 Screening compound: 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine
E595-0198 Screening compound: 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0198
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine

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

E595-0198

Molecular Formula

C17H13FN6O (C17 H13 FN6 O)

Compound Name

4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine

IUPAC name

4-[3-(2-fluorophenyl)-124-oxadiazol-5-yl]-1-(3-methylphenyl)-1H-123-triazol-5-amine

SMILES

Cc1cccc(-n2nnc(-c3nc(-c(cccc4)c4F)no3)c2N)c1

InChI

InChI=1S/C17H13FN6O/c1-10-5-4-6-11(9-10)24-15(19)14(21-23-24)17-20-16(22-25-17)12-7-2-3-8-13(12)18/h2-9H,19H2,1H3

InChI Key

VBAWXICHHXJDLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.46

Polar Surface Area

77.738

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

E595-0198 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E595-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0198?
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What is the minimum amount of E595-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0198
  • 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 E595-0198 available by request