8640-0554 Screening compound: 6-(4-acetylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

8640-0554 Screening compound: 6-(4-acetylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
8640-0554 Screening compound: 6-(4-acetylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0554
6-(4-acetylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-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

8640-0554

Molecular Formula

C21H30N4O2 (C21 H30 N4 O2)

Compound Name

6-(4-acetylpiperazin-1-yl)-3,3-dimethyl-8-(2-methylpropyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

6-(4-acetylpiperazin-1-yl)-33-dimethyl-8-(2-methylpropyl)-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(C)Cc(nc1N(CC2)CCN2C(C)=O)c(COC(C)(C)C2)c2c1C#N

InChI

InChI=1S/C21H30N4O2/c1-14(2)10-19-18-13-27-21(4,5)11-16(18)17(12-22)20(23-19)25-8-6-24(7-9-25)15(3)26/h14H,6-11,13H2,1-5H3

InChI Key

YCNOKFZZYCTKJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01551609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.770

Distribution Coefficient, logD

3.770

Water Solubility, LogSw

-4.30

Polar Surface Area

55.375

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

8640-0554 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8640-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0554?
Check Price and Availability of 8640-0554, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8640-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0554
  • 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 8640-0554 available by request