C890-0978 Screening compound: 4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide

C890-0978 Screening compound: 4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide
C890-0978 Screening compound: 4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0978
4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide

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

C890-0978

Molecular Formula

C28H39N5O2 (C28 H39 N5 O2)

Compound Name

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

IUPAC name

4-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}-N-[3-(35-dimethylpiperidin-1-yl)propyl]butanamide

SMILES

CC1CN(CCCNC(CCCn(c(C)c2C=NN3c4ccccc4)c(C)c2C3=O)=O)CC(C)C1

InChI

InChI=1S/C28H39N5O2/c1-20-16-21(2)19-31(18-20)14-9-13-29-26(34)12-8-15-32-22(3)25-17-30-33(24-10-6-5-7-11-24)28(35)27(25)23(32)4/h5-7,10-11,17,20-21H,8-9,12-16,18-19H2,1-4H3,(H,29,34)

InChI Key

SGHAUXCCPXTDNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.438

Distribution Coefficient, logD

-0.166

Water Solubility, LogSw

-2.76

Polar Surface Area

56.649

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.60

C890-0978 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C890-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0978?
Check Price and Availability of C890-0978, 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 C890-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0978
  • 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 C890-0978 available by request