E713-0095 Screening compound: 3-(3,4-dimethoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-5-amine

E713-0095 Screening compound: 3-(3,4-dimethoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-5-amine
E713-0095 Screening compound: 3-(3,4-dimethoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E713-0095
3-(3,4-dimethoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-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

E713-0095

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

3-(3,4-dimethoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1,2,4-oxadiazol-5-amine

IUPAC name

3-(34-dimethoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-124-oxadiazol-5-amine

SMILES

Cc1cccc(CN2CCC(CNc3nc(-c(cc4)cc(OC)c4OC)no3)CC2)c1

InChI

InChI=1S/C24H30N4O3/c1-17-5-4-6-19(13-17)16-28-11-9-18(10-12-28)15-25-24-26-23(27-31-24)20-7-8-21(29-2)22(14-20)30-3/h4-8,13-14,18H,9-12,15-16H2,1-3H3,(H,25,26,27)

InChI Key

CBSCGKMQXIHBDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

2.327

Water Solubility, LogSw

-4.57

Polar Surface Area

62.456

Acid Dissociation Constant (pKa)

18.91

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with E713-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E713-0095?
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What is the minimum amount of E713-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E713-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E713-0095
  • 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 E713-0095 available by request