8017-6859 Screening compound: 6-cyclohexyl-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine

8017-6859 Screening compound: 6-cyclohexyl-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
8017-6859 Screening compound: 6-cyclohexyl-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6859
6-cyclohexyl-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine

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

8017-6859

Molecular Formula

C16H23N3 (C16 H23 N3)

Compound Name

6-cyclohexyl-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine

IUPAC name

6-cyclohexyl-1457-tetramethyl-6H-pyrrolo[34-d]pyridazine

SMILES

Cc1c2c(C)nnc(C)c2c(C)n1C1CCCCC1

InChI

InChI=1S/C16H23N3/c1-10-15-12(3)19(14-8-6-5-7-9-14)13(4)16(15)11(2)18-17-10/h14H,5-9H2,1-4H3

InChI Key

WECFJCGLOBJEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.937

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-2.98

Polar Surface Area

25.137

Acid Dissociation Constant (pKa)

22.69

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8017-6859 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8017-6859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6859?
Check Price and Availability of 8017-6859, 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 8017-6859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6859
  • 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 8017-6859 available by request