6401-0026 Screening compound: 7,9-dimethyl-6,11-diphenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione

6401-0026 Screening compound: 7,9-dimethyl-6,11-diphenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
6401-0026 Screening compound: 7,9-dimethyl-6,11-diphenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6401-0026
7,9-dimethyl-6,11-diphenylpyrimido[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

6401-0026

Molecular Formula

C27H20N4O2 (C27 H20 N4 O2)

Compound Name

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

IUPAC name

1214-dimethyl-917-diphenyl-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)3581016-hexaene-1315-dione

SMILES

CN(c(c(C(N1C)=O)c2-c3ccccc3)c3n2c(cccc2)c2nc3-c2ccccc2)C1=O

InChI

InChI=1S/C27H20N4O2/c1-29-24-21(26(32)30(2)27(29)33)23(18-13-7-4-8-14-18)31-20-16-10-9-15-19(20)28-22(25(24)31)17-11-5-3-6-12-17/h3-16H,1-2H3

InChI Key

ARYCAAVMRNIHAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09699084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.55

Polar Surface Area

39.989

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

6401-0026 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6401-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6401-0026?
Check Price and Availability of 6401-0026, 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 6401-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6401-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6401-0026
  • 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 6401-0026 available by request