6401-0061 Screening compound: 7,9-dimethyl-11-(4-methylphenyl)-6-(4-pyridyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione

6401-0061 Screening compound: 7,9-dimethyl-11-(4-methylphenyl)-6-(4-pyridyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
6401-0061 Screening compound: 7,9-dimethyl-11-(4-methylphenyl)-6-(4-pyridyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6401-0061
7,9-dimethyl-11-(4-methylphenyl)-6-(4-pyridyl)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

6401-0061

Molecular Formula

C27H21N5O2 (C27 H21 N5 O2)

Compound Name

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

IUPAC name

1214-dimethyl-17-(4-methylphenyl)-9-(pyridin-4-yl)-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)3581016-hexaene-1315-dione

SMILES

Cc(cc1)ccc1-c(n(c1c2N(C)C(N3C)=O)c(cccc4)c4nc1-c1ccncc1)c2C3=O

InChI

InChI=1S/C27H21N5O2/c1-16-8-10-18(11-9-16)23-21-24(30(2)27(34)31(3)26(21)33)25-22(17-12-14-28-15-13-17)29-19-6-4-5-7-20(19)32(23)25/h4-15H,1-3H3

InChI Key

XCZHHVKJPGIGDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.5

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

3.749

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-4.08

Polar Surface Area

49.417

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6401-0061 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6401-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6401-0061?
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What is the minimum amount of 6401-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6401-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6401-0061
  • 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 6401-0061 available by request