E595-0215 Screening compound: 1-(2,5-dimethoxyphenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0215 Screening compound: 1-(2,5-dimethoxyphenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0215 Screening compound: 1-(2,5-dimethoxyphenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0215
1-(2,5-dimethoxyphenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-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

E595-0215

Molecular Formula

C18H15FN6O3 (C18 H15 FN6 O3)

Compound Name

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

IUPAC name

1-(25-dimethoxyphenyl)-4-[3-(2-fluorophenyl)-124-oxadiazol-5-yl]-1H-123-triazol-5-amine

SMILES

COc(cc1)cc(-n2nnc(-c3nc(-c(cccc4)c4F)no3)c2N)c1OC

InChI

InChI=1S/C18H15FN6O3/c1-26-10-7-8-14(27-2)13(9-10)25-16(20)15(22-24-25)18-21-17(23-28-18)11-5-3-4-6-12(11)19/h3-9H,20H2,1-2H3

InChI Key

XMOWXZFLRAOPHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.41

Polar Surface Area

92.612

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E595-0215 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E595-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0215?
Check Price and Availability of E595-0215, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E595-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0215
  • 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 E595-0215 available by request