C890-0469 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(2,3,5,6-tetrafluorophenyl)propanamide

C890-0469 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(2,3,5,6-tetrafluorophenyl)propanamide
C890-0469 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(2,3,5,6-tetrafluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0469
2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(2,3,5,6-tetrafluorophenyl)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

C890-0469

Molecular Formula

C23H18F4N4O2 (C23 H18 F4 N4 O2)

Compound Name

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

IUPAC name

2-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}-N-(2356-tetrafluorophenyl)propanamide

SMILES

CC(C(Nc(c(F)c(cc1F)F)c1F)=O)n(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O

InChI

InChI=1S/C23H18F4N4O2/c1-11-15-10-28-31(14-7-5-4-6-8-14)23(33)18(15)12(2)30(11)13(3)22(32)29-21-19(26)16(24)9-17(25)20(21)27/h4-10,13H,1-3H3,(H,29,32)/t13-/m0/s1

InChI Key

BHLZPOHWWRMGTG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14806408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

0.389

Water Solubility, LogSw

-3.79

Polar Surface Area

51.171

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C890-0469 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C890-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0469?
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What is the minimum amount of C890-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0469
  • 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 C890-0469 available by request