8019-4111 Screening compound: 4-({[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

8019-4111 Screening compound: 4-({[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
8019-4111 Screening compound: 4-({[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4111
4-({[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-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

8019-4111

Molecular Formula

C19H23N7O3S (C19 H23 N7 O3 S)

Compound Name

4-({[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-({[5-(34-dimethoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)-6-(piperidin-1-yl)-135-triazin-2-amine

SMILES

COc(ccc(-c(o1)nnc1SCc1nc(N2CCCCC2)nc(N)n1)c1)c1OC

InChI

InChI=1S/C19H23N7O3S/c1-27-13-7-6-12(10-14(13)28-2)16-24-25-19(29-16)30-11-15-21-17(20)23-18(22-15)26-8-4-3-5-9-26/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,20,21,22,23)

InChI Key

NLJMLBUSZUYDIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

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

2.800

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-3.10

Polar Surface Area

99.027

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8019-4111 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-4111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4111?
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What is the minimum amount of 8019-4111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4111
  • 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 8019-4111 available by request