C890-0522 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}propanamide

C890-0522 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}propanamide
C890-0522 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0522
2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}propanamide

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

C890-0522

Molecular Formula

C30H35N5O2 (C30 H35 N5 O2)

Compound Name

2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}propanamide

IUPAC name

2-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}propanamide

SMILES

CC(C(Nc1ccc(CN2CCC(C)CC2)cc1)=O)n(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O

InChI

InChI=1S/C30H35N5O2/c1-20-14-16-33(17-15-20)19-24-10-12-25(13-11-24)32-29(36)23(4)34-21(2)27-18-31-35(26-8-6-5-7-9-26)30(37)28(27)22(34)3/h5-13,18,20,23H,14-17,19H2,1-4H3,(H,32,36)/t23-/m0/s1

InChI Key

YXKAHZIMPAYJRC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14806418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-4.13

Polar Surface Area

56.299

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

C890-0522 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C890-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0522?
Check Price and Availability of C890-0522, 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 C890-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0522
  • 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 C890-0522 available by request