D132-0039 Screening compound: 2-(1,3-benzodioxol-5-ylmethyl)-8-(4-methoxyphenyl)-1,3,4-trimethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine

D132-0039 Screening compound: 2-(1,3-benzodioxol-5-ylmethyl)-8-(4-methoxyphenyl)-1,3,4-trimethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine
D132-0039 Screening compound: 2-(1,3-benzodioxol-5-ylmethyl)-8-(4-methoxyphenyl)-1,3,4-trimethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D132-0039
2-(1,3-benzodioxol-5-ylmethyl)-8-(4-methoxyphenyl)-1,3,4-trimethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine

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

D132-0039

Molecular Formula

C27H25N3O3 (C27 H25 N3 O3)

Compound Name

2-(1,3-benzodioxol-5-ylmethyl)-8-(4-methoxyphenyl)-1,3,4-trimethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine

IUPAC name

4-[(2H-13-benzodioxol-5-yl)methyl]-11-(4-methoxyphenyl)-357-trimethyl-489-triazatricyclo[7.3.0.0^{26}]dodeca-1(12)25710-pentaene

SMILES

Cc1c(c2cc(-c(cc3)ccc3OC)cn2nc2C)c2c(C)n1Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H25N3O3/c1-16-26-17(2)29(13-19-5-10-24-25(11-19)33-15-32-24)18(3)27(26)23-12-21(14-30(23)28-16)20-6-8-22(31-4)9-7-20/h5-12,14H,13,15H2,1-4H3

InChI Key

IATUNWJVMJSMCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-5.65

Polar Surface Area

37.396

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D132-0039 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D132-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D132-0039?
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What is the minimum amount of D132-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D132-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D132-0039
  • 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 D132-0039 available by request