8017-8408 Screening compound: 4-methoxy-2-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)phenyl methyl ether

8017-8408 Screening compound: 4-methoxy-2-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)phenyl methyl ether
8017-8408 Screening compound: 4-methoxy-2-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8408
4-methoxy-2-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)phenyl methyl ether

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

8017-8408

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

4-methoxy-2-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)phenyl methyl ether

IUPAC name

6-(25-dimethoxyphenyl)-1457-tetramethyl-6H-pyrrolo[34-d]pyridazine

SMILES

Cc1c2c(C)nnc(C)c2c(C)n1-c(cc(cc1)OC)c1OC

InChI

InChI=1S/C18H21N3O2/c1-10-17-12(3)21(13(4)18(17)11(2)20-19-10)15-9-14(22-5)7-8-16(15)23-6/h7-9H,1-6H3

InChI Key

ZZRIFAVBXAGGSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03251085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-3.26

Polar Surface Area

40.178

Acid Dissociation Constant (pKa)

27.18

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8017-8408 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-8408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8408?
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What is the minimum amount of 8017-8408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8408
  • 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 8017-8408 available by request