8014-2322 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione

8014-2322 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
8014-2322 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2322
5-(4-methoxyphenyl)-1,3-dimethylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione

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

8014-2322

Molecular Formula

C18H16N4O3 (C18 H16 N4 O3)

Compound Name

5-(4-methoxyphenyl)-1,3-dimethylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione

IUPAC name

8-(4-methoxyphenyl)-35-dimethyl-35910-tetraazatricyclo[7.4.0.0^{27}]trideca-171012-tetraene-46-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cc3)ccc3OC)c3n2nccc3)C1=O

InChI

InChI=1S/C18H16N4O3/c1-20-16-13-5-4-10-19-22(13)15(11-6-8-12(25-3)9-7-11)14(16)17(23)21(2)18(20)24/h4-10H,1-3H3

InChI Key

BEUMTJRBOKOVDC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.380

Distribution Coefficient, logD

2.380

Water Solubility, LogSw

-2.54

Polar Surface Area

51.028

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8014-2322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2322?
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What is the minimum amount of 8014-2322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2322
  • 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 8014-2322 available by request