8016-2290 Screening compound: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate

8016-2290 Screening compound: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
8016-2290 Screening compound: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2290
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate

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

8016-2290

Molecular Formula

C19H23N7O3 (C19 H23 N7 O3)

Compound Name

methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate

IUPAC name

methyl 1-(4-amino-125-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1H-123-triazole-4-carboxylate

SMILES

COC(c1c(CN2CCC(Cc3ccccc3)CC2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C19H23N7O3/c1-28-19(27)16-15(26(24-21-16)18-17(20)22-29-23-18)12-25-9-7-14(8-10-25)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,20,22)

InChI Key

GOGNLQQEFBDWLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

1.688

Water Solubility, LogSw

-2.66

Polar Surface Area

107.474

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8016-2290 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-2290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2290?
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What is the minimum amount of 8016-2290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2290
  • 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 8016-2290 available by request