6401-0029 Screening compound: 7,9-dimethyl-6-(3-methylphenyl)-11-phenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione

6401-0029 Screening compound: 7,9-dimethyl-6-(3-methylphenyl)-11-phenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
6401-0029 Screening compound: 7,9-dimethyl-6-(3-methylphenyl)-11-phenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6401-0029
7,9-dimethyl-6-(3-methylphenyl)-11-phenylpyrimido[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

6401-0029

Molecular Formula

C28H22N4O2 (C28 H22 N4 O2)

Compound Name

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

IUPAC name

1214-dimethyl-9-(3-methylphenyl)-17-phenyl-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)3581016-hexaene-1315-dione

SMILES

Cc1cccc(-c2nc(cccc3)c3n(c(-c3ccccc3)c3C(N4C)=O)c2c3N(C)C4=O)c1

InChI

InChI=1S/C28H22N4O2/c1-17-10-9-13-19(16-17)23-26-25-22(27(33)31(3)28(34)30(25)2)24(18-11-5-4-6-12-18)32(26)21-15-8-7-14-20(21)29-23/h4-16H,1-3H3

InChI Key

SFJOYBYSPNCEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09699086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

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

4.987

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-4.85

Polar Surface Area

39.989

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

6401-0029 in Drug Discovery

Included in Screening Libraries

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 6401-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6401-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6401-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6401-0029
  • 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 6401-0029 available by request