5921-0101 Screening compound: 8-butyl-3,3-dimethyl-6-(pyrrolidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

5921-0101 Screening compound: 8-butyl-3,3-dimethyl-6-(pyrrolidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
5921-0101 Screening compound: 8-butyl-3,3-dimethyl-6-(pyrrolidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0101
8-butyl-3,3-dimethyl-6-(pyrrolidin-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

5921-0101

Molecular Formula

C19H27N3O (C19 H27 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(c1c2CC(C)(C)OC1)nc(N1CCCC1)c2C#N

InChI

InChI=1S/C19H27N3O/c1-4-5-8-17-16-13-23-19(2,3)11-14(16)15(12-20)18(21-17)22-9-6-7-10-22/h4-11,13H2,1-3H3

InChI Key

CGZWSCPLRNTPJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.44

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

4.991

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.80

Polar Surface Area

38.545

Acid Dissociation Constant (pKa)

23.40

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

5921-0101 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5921-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0101?
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What is the minimum amount of 5921-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0101
  • 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 5921-0101 available by request