D132-0038 Screening compound: 2-(1,3-benzodioxol-5-ylmethyl)-8-(4-bromophenyl)-1,3,4-trimethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine

D132-0038 Screening compound: 2-(1,3-benzodioxol-5-ylmethyl)-8-(4-bromophenyl)-1,3,4-trimethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine
D132-0038 Screening compound: 2-(1,3-benzodioxol-5-ylmethyl)-8-(4-bromophenyl)-1,3,4-trimethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D132-0038
2-(1,3-benzodioxol-5-ylmethyl)-8-(4-bromophenyl)-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

D132-0038

Molecular Formula

C26H22BrN3O2 (C26 H22 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(c2cc(-c(cc3)ccc3Br)cn2nc2C)c2c(C)n1Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C26H22BrN3O2/c1-15-25-16(2)29(12-18-4-9-23-24(10-18)32-14-31-23)17(3)26(25)22-11-20(13-30(22)28-15)19-5-7-21(27)8-6-19/h4-11,13H,12,14H2,1-3H3

InChI Key

ODYVMKUANQIKDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.252

Distribution Coefficient, logD

6.144

Water Solubility, LogSw

-5.91

Polar Surface Area

29.852

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D132-0038 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D132-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D132-0038?
Check Price and Availability of D132-0038, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D132-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D132-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D132-0038
  • 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 D132-0038 available by request