6401-0049 Screening compound: 6,7,9-trimethyl-11-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione

6401-0049 Screening compound: 6,7,9-trimethyl-11-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
6401-0049 Screening compound: 6,7,9-trimethyl-11-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6401-0049
6,7,9-trimethyl-11-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-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

6401-0049

Molecular Formula

C23H20N4O2 (C23 H20 N4 O2)

Compound Name

6,7,9-trimethyl-11-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione

IUPAC name

91214-trimethyl-17-(4-methylphenyl)-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)3581016-hexaene-1315-dione

SMILES

Cc(cc1)ccc1-c(n1c(cccc2)c2nc(C)c1c1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C23H20N4O2/c1-13-9-11-15(12-10-13)20-18-21(25(3)23(29)26(4)22(18)28)19-14(2)24-16-7-5-6-8-17(16)27(19)20/h5-12H,1-4H3

InChI Key

WFOFCXNWTLURQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.44

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

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.24

Polar Surface Area

39.433

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

6401-0049 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6401-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6401-0049?
Check Price and Availability of 6401-0049, 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 6401-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6401-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6401-0049
  • 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 6401-0049 available by request