C890-0703 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide

C890-0703 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide
C890-0703 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0703
N-(3-chloro-4-methoxyphenyl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}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

C890-0703

Molecular Formula

C25H25ClN4O3 (C25 H25 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc(cc1)cc(Cl)c1OC)=O)n(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O

InChI

InChI=1S/C25H25ClN4O3/c1-5-21(24(31)28-17-11-12-22(33-4)20(26)13-17)29-15(2)19-14-27-30(18-9-7-6-8-10-18)25(32)23(19)16(29)3/h6-14,21H,5H2,1-4H3,(H,28,31)/t21-/m0/s1

InChI Key

YUSRPGXXBLUWDI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14806463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

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

4.127

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.68

Polar Surface Area

59.782

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C890-0703 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C890-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0703?
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What is the minimum amount of C890-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0703
  • 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 C890-0703 available by request