C890-0714 Screening compound: N-butyl-2-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)butanamide

C890-0714 Screening compound: N-butyl-2-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)butanamide
C890-0714 Screening compound: N-butyl-2-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0714
N-butyl-2-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-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

C890-0714

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

N-butyl-2-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)butanamide

IUPAC name

N-butyl-2-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}butanamide

SMILES

CCCCNC(C(CC)n(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O)=O

InChI

InChI=1S/C22H28N4O2/c1-5-7-13-23-21(27)19(6-2)25-15(3)18-14-24-26(17-11-9-8-10-12-17)22(28)20(18)16(25)4/h8-12,14,19H,5-7,13H2,1-4H3,(H,23,27)/t19-/m0/s1

InChI Key

DJUYPVLGDAZLGD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14806466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.40

Polar Surface Area

53.586

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with C890-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0714?
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What is the minimum amount of C890-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0714
  • 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 C890-0714 available by request