E595-0102 Screening compound: 1-(3-chloro-2-methylphenyl)-4-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0102 Screening compound: 1-(3-chloro-2-methylphenyl)-4-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0102 Screening compound: 1-(3-chloro-2-methylphenyl)-4-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0102
1-(3-chloro-2-methylphenyl)-4-[3-(pyridin-2-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

E595-0102

Molecular Formula

C16H12ClN7O (C16 H12 ClN7 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(-n1nnc(-c2nc(-c3ncccc3)no2)c1N)ccc1)c1Cl

InChI

InChI=1S/C16H12ClN7O/c1-9-10(17)5-4-7-12(9)24-14(18)13(21-23-24)16-20-15(22-25-16)11-6-2-3-8-19-11/h2-8H,18H2,1H3

InChI Key

CXOIVRJETWFMMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-3.33

Polar Surface Area

86.485

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

E595-0102 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 E595-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0102?
Check Price and Availability of E595-0102, 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 E595-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0102
  • 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 E595-0102 available by request