6557-0250 Screening compound: 2-benzyl-1,3,4,8-tetramethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine

6557-0250 Screening compound: 2-benzyl-1,3,4,8-tetramethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine
6557-0250 Screening compound: 2-benzyl-1,3,4,8-tetramethyl-2H-dipyrrolo[1,2-b:3,4-d]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0250
2-benzyl-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

6557-0250

Molecular Formula

C20H21N3 (C20 H21 N3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cn2nc(C)c3c(C)n(Cc4ccccc4)c(C)c3c2c1

InChI

InChI=1S/C20H21N3/c1-13-10-18-20-16(4)22(12-17-8-6-5-7-9-17)15(3)19(20)14(2)21-23(18)11-13/h5-11H,12H2,1-4H3

InChI Key

OPCQLPZYUZBNDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04198204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.41

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.926

Water Solubility, LogSw

-4.17

Polar Surface Area

13.009

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6557-0250 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 6557-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0250?
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What is the minimum amount of 6557-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0250
  • 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 6557-0250 available by request