8640-0553 Screening compound: 3,3-dimethyl-6-(pentylamino)-8-propyl-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

8640-0553 Screening compound: 3,3-dimethyl-6-(pentylamino)-8-propyl-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
8640-0553 Screening compound: 3,3-dimethyl-6-(pentylamino)-8-propyl-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0553
3,3-dimethyl-6-(pentylamino)-8-propyl-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

8640-0553

Molecular Formula

C19H29N3O (C19 H29 N3 O)

Compound Name

3,3-dimethyl-6-(pentylamino)-8-propyl-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

33-dimethyl-6-(pentylamino)-8-propyl-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CCCCCNc(nc(CCC)c1c2CC(C)(C)OC1)c2C#N

InChI

InChI=1S/C19H29N3O/c1-5-7-8-10-21-18-15(12-20)14-11-19(3,4)23-13-16(14)17(22-18)9-6-2/h5-11,13H2,1-4H3,(H,21,22)

InChI Key

AQNSPOAETHBCGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01550244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.297

Distribution Coefficient, logD

5.297

Water Solubility, LogSw

-5.06

Polar Surface Area

45.781

Acid Dissociation Constant (pKa)

17.45

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

References: we are preparing a list of scientific research reports with 8640-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0553?
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What is the minimum amount of 8640-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0553
  • 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 8640-0553 available by request