D132-0016 Screening compound: 2-(3,4-dimethoxyphenethyl)-1,3,4,8-tetramethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine

D132-0016 Screening compound: 2-(3,4-dimethoxyphenethyl)-1,3,4,8-tetramethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine
D132-0016 Screening compound: 2-(3,4-dimethoxyphenethyl)-1,3,4,8-tetramethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D132-0016
2-(3,4-dimethoxyphenethyl)-1,3,4,8-tetramethyl-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

D132-0016

Molecular Formula

C23H27N3O2 (C23 H27 N3 O2)

Compound Name

2-(3,4-dimethoxyphenethyl)-1,3,4,8-tetramethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine

IUPAC name

4-[2-(34-dimethoxyphenyl)ethyl]-35711-tetramethyl-489-triazatricyclo[7.3.0.0^{26}]dodeca-1(12)25710-pentaene

SMILES

Cc1cn2nc(C)c3c(C)n(CCc(cc4)cc(OC)c4OC)c(C)c3c2c1

InChI

InChI=1S/C23H27N3O2/c1-14-11-19-23-17(4)25(16(3)22(23)15(2)24-26(19)13-14)10-9-18-7-8-20(27-5)21(12-18)28-6/h7-8,11-13H,9-10H2,1-6H3

InChI Key

TWSJEGDZBCFAHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06632894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.579

Water Solubility, LogSw

-3.86

Polar Surface Area

28.248

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D132-0016 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D132-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D132-0016?
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What is the minimum amount of D132-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D132-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D132-0016
  • 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 D132-0016 available by request