8640-0555 Screening compound: 3,3-dimethyl-8-(2-methylpropyl)-6-(4-propanoylpiperazin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

8640-0555 Screening compound: 3,3-dimethyl-8-(2-methylpropyl)-6-(4-propanoylpiperazin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
8640-0555 Screening compound: 3,3-dimethyl-8-(2-methylpropyl)-6-(4-propanoylpiperazin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0555
3,3-dimethyl-8-(2-methylpropyl)-6-(4-propanoylpiperazin-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

8640-0555

Molecular Formula

C22H32N4O2 (C22 H32 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CC1)CCN1c1nc(CC(C)C)c(COC(C)(C)C2)c2c1C#N)=O

InChI

InChI=1S/C22H32N4O2/c1-6-20(27)25-7-9-26(10-8-25)21-17(13-23)16-12-22(4,5)28-14-18(16)19(24-21)11-15(2)3/h15H,6-12,14H2,1-5H3

InChI Key

HKTSQTLHHOUEFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01551066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

4.131

Water Solubility, LogSw

-4.24

Polar Surface Area

54.380

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

8640-0555 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 8640-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0555?
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What is the minimum amount of 8640-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0555
  • 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 8640-0555 available by request