E595-0176 Screening compound: 1-(2,5-dimethoxyphenyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0176 Screening compound: 1-(2,5-dimethoxyphenyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0176 Screening compound: 1-(2,5-dimethoxyphenyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0176
1-(2,5-dimethoxyphenyl)-4-[3-(pyridin-4-yl)-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

E595-0176

Molecular Formula

C17H15N7O3 (C17 H15 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(-n2nnc(-c3nc(-c4ccncc4)no3)c2N)c1OC

InChI

InChI=1S/C17H15N7O3/c1-25-11-3-4-13(26-2)12(9-11)24-15(18)14(21-23-24)17-20-16(22-27-17)10-5-7-19-8-6-10/h3-9H,18H2,1-2H3

InChI Key

MVWROGJKXIRDPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.928

Distribution Coefficient, logD

1.928

Water Solubility, LogSw

-2.00

Polar Surface Area

102.040

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E595-0176 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E595-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0176?
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What is the minimum amount of E595-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0176
  • 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 E595-0176 available by request