E595-0268 Screening compound: 1-(3-chloro-4-methoxyphenyl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0268 Screening compound: 1-(3-chloro-4-methoxyphenyl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0268 Screening compound: 1-(3-chloro-4-methoxyphenyl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0268
1-(3-chloro-4-methoxyphenyl)-4-[3-(2-chlorophenyl)-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

E595-0268

Molecular Formula

C17H12Cl2N6O2 (C17 H12 Cl2 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-n1nnc(-c2nc(-c(cccc3)c3Cl)no2)c1N)c1)c1Cl

InChI

InChI=1S/C17H12Cl2N6O2/c1-26-13-7-6-9(8-12(13)19)25-15(20)14(22-24-25)17-21-16(23-27-17)10-4-2-3-5-11(10)18/h2-8H,20H2,1H3

InChI Key

AIQIVOKUVATCBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-3.93

Polar Surface Area

85.369

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with E595-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0268?
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What is the minimum amount of E595-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0268
  • 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 E595-0268 available by request