6401-0083 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione

6401-0083 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
6401-0083 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6401-0083
1,3-dimethyl-5-(4-methylphenyl)pyrimido[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

6401-0083

Molecular Formula

C18H16N4O2 (C18 H16 N4 O2)

Compound Name

1,3-dimethyl-5-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(n1ncccc1c1N(C)C(N2C)=O)c1C2=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.00

Polar Surface Area

43.485

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6401-0083 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6401-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6401-0083?
Check Price and Availability of 6401-0083, 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 6401-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6401-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6401-0083
  • 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 6401-0083 available by request