5921-0099 Screening compound: 8-butyl-3,3-dimethyl-6-(4-methylpiperidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

5921-0099 Screening compound: 8-butyl-3,3-dimethyl-6-(4-methylpiperidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
5921-0099 Screening compound: 8-butyl-3,3-dimethyl-6-(4-methylpiperidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0099
8-butyl-3,3-dimethyl-6-(4-methylpiperidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

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

5921-0099

Molecular Formula

C21H31N3O (C21 H31 N3 O)

Compound Name

8-butyl-3,3-dimethyl-6-(4-methylpiperidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

8-butyl-33-dimethyl-6-(4-methylpiperidin-1-yl)-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CCCCc(c1c2CC(C)(C)OC1)nc(N1CCC(C)CC1)c2C#N

InChI

InChI=1S/C21H31N3O/c1-5-6-7-19-18-14-25-21(3,4)12-16(18)17(13-22)20(23-19)24-10-8-15(2)9-11-24/h15H,5-12,14H2,1-4H3

InChI Key

FHXOYNAJGUONGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01878105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.738

Distribution Coefficient, logD

5.738

Water Solubility, LogSw

-5.45

Polar Surface Area

38.179

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

5921-0099 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 5921-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0099?
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What is the minimum amount of 5921-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0099
  • 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 5921-0099 available by request