6401-0024 Screening compound: 7,9-dimethyl-6-(phenoxymethyl)-11-phenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione

6401-0024 Screening compound: 7,9-dimethyl-6-(phenoxymethyl)-11-phenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
6401-0024 Screening compound: 7,9-dimethyl-6-(phenoxymethyl)-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 6401-0024
7,9-dimethyl-6-(phenoxymethyl)-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

6401-0024

Molecular Formula

C28H22N4O3 (C28 H22 N4 O3)

Compound Name

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

IUPAC name

1214-dimethyl-9-(phenoxymethyl)-17-phenyl-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)c2nc3COc2ccccc2)C1=O

InChI

InChI=1S/C28H22N4O3/c1-30-26-23(27(33)31(2)28(30)34)24(18-11-5-3-6-12-18)32-22-16-10-9-15-20(22)29-21(25(26)32)17-35-19-13-7-4-8-14-19/h3-16H,17H2,1-2H3

InChI Key

AJMSUBYZYXAQRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04215608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

4.484

Water Solubility, LogSw

-4.49

Polar Surface Area

47.391

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with 6401-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6401-0024?
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What is the minimum amount of 6401-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6401-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6401-0024
  • 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 6401-0024 available by request