5921-0094 Screening compound: 8-ethyl-3,3-dimethyl-6-[(3-methylbutyl)amino]-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

5921-0094 Screening compound: 8-ethyl-3,3-dimethyl-6-[(3-methylbutyl)amino]-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
5921-0094 Screening compound: 8-ethyl-3,3-dimethyl-6-[(3-methylbutyl)amino]-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0094
8-ethyl-3,3-dimethyl-6-[(3-methylbutyl)amino]-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

5921-0094

Molecular Formula

C18H27N3O (C18 H27 N3 O)

Compound Name

8-ethyl-3,3-dimethyl-6-[(3-methylbutyl)amino]-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

8-ethyl-33-dimethyl-6-[(3-methylbutyl)amino]-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CCc(c1c2CC(C)(C)OC1)nc(NCCC(C)C)c2C#N

InChI

InChI=1S/C18H27N3O/c1-6-16-15-11-22-18(4,5)9-13(15)14(10-19)17(21-16)20-8-7-12(2)3/h12H,6-9,11H2,1-5H3,(H,20,21)

InChI Key

BWOXNAUCVHLWIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01877049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.49

Polar Surface Area

45.781

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

5921-0094 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5921-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0094?
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What is the minimum amount of 5921-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0094
  • 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 5921-0094 available by request