6401-0071 Screening compound: 7,9-dimethyl-11-(3-methylphenyl)-6-phenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione

6401-0071 Screening compound: 7,9-dimethyl-11-(3-methylphenyl)-6-phenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
6401-0071 Screening compound: 7,9-dimethyl-11-(3-methylphenyl)-6-phenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6401-0071
7,9-dimethyl-11-(3-methylphenyl)-6-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

6401-0071

Molecular Formula

C28H22N4O2 (C28 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c(n(c2c3N(C)C(N4C)=O)c(cccc5)c5nc2-c2ccccc2)c3C4=O)c1

InChI

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

InChI Key

MQHCNLHGIMQSKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09699105

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

4.927

Distribution Coefficient, logD

4.927

Water Solubility, LogSw

-4.85

Polar Surface Area

39.989

Acid Dissociation Constant (pKa)

28.86

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with 6401-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6401-0071?
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What is the minimum amount of 6401-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6401-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6401-0071
  • 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 6401-0071 available by request