E595-0127 Screening compound: 1-(4-chlorophenyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0127 Screening compound: 1-(4-chlorophenyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0127 Screening compound: 1-(4-chlorophenyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0127
1-(4-chlorophenyl)-4-[3-(pyridin-3-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

E595-0127

Molecular Formula

C15H10ClN7O (C15 H10 ClN7 O)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(-c2nc(-c3cnccc3)no2)nnn1-c(cc1)ccc1Cl

InChI

InChI=1S/C15H10ClN7O/c16-10-3-5-11(6-4-10)23-13(17)12(20-22-23)15-19-14(21-24-15)9-2-1-7-18-8-9/h1-8H,17H2

InChI Key

CAWBKKQLDHTPOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.74

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

2.175

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.78

Polar Surface Area

87.256

Acid Dissociation Constant (pKa)

21.71

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with E595-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0127?
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What is the minimum amount of E595-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0127
  • 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 E595-0127 available by request