6557-0139 Screening compound: 1,3,4-trimethyl-2-(4-methylphenyl)-8-(4-nitrophenyl)-2H-dipyrrolo[1,2-b:3,4-d]pyridazine

6557-0139 Screening compound: 1,3,4-trimethyl-2-(4-methylphenyl)-8-(4-nitrophenyl)-2H-dipyrrolo[1,2-b:3,4-d]pyridazine
6557-0139 Screening compound: 1,3,4-trimethyl-2-(4-methylphenyl)-8-(4-nitrophenyl)-2H-dipyrrolo[1,2-b:3,4-d]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0139
1,3,4-trimethyl-2-(4-methylphenyl)-8-(4-nitrophenyl)-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

6557-0139

Molecular Formula

C25H22N4O2 (C25 H22 N4 O2)

Compound Name

1,3,4-trimethyl-2-(4-methylphenyl)-8-(4-nitrophenyl)-2H-dipyrrolo[1,2-b:3,4-d]pyridazine

IUPAC name

357-trimethyl-4-(4-methylphenyl)-11-(4-nitrophenyl)-489-triazatricyclo[7.3.0.0^{26}]dodeca-1(12)25710-pentaene

SMILES

Cc1c(c2cc(-c(cc3)ccc3[N+]([O-])=O)cn2nc2C)c2c(C)n1-c1ccc(C)cc1

InChI

InChI=1S/C25H22N4O2/c1-15-5-9-21(10-6-15)28-17(3)24-16(2)26-27-14-20(13-23(27)25(24)18(28)4)19-7-11-22(12-8-19)29(30)31/h5-14H,1-4H3

InChI Key

DMJOIMHWYGHVBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04158883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.690

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.74

Polar Surface Area

46.862

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 6557-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0139?
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What is the minimum amount of 6557-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0139
  • 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 6557-0139 available by request