D359-0081 Screening compound: 6-(2-ethoxyphenyl)-7,9-dimethyl-11-(4-methylphenyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D359-0081 Screening compound: 6-(2-ethoxyphenyl)-7,9-dimethyl-11-(4-methylphenyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D359-0081 Screening compound: 6-(2-ethoxyphenyl)-7,9-dimethyl-11-(4-methylphenyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D359-0081
6-(2-ethoxyphenyl)-7,9-dimethyl-11-(4-methylphenyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,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

D359-0081

Molecular Formula

C30H28N4O3 (C30 H28 N4 O3)

Compound Name

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

IUPAC name

9-(2-ethoxyphenyl)-1214-dimethyl-17-(4-methylphenyl)-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

CCOc1c(C(c2c3N(C)C(N4C)=O)Nc(cccc5)c5-n2c(-c2ccc(C)cc2)c3C4=O)cccc1

InChI

InChI=1S/C30H28N4O3/c1-5-37-23-13-9-6-10-20(23)25-28-27-24(29(35)33(4)30(36)32(27)3)26(19-16-14-18(2)15-17-19)34(28)22-12-8-7-11-21(22)31-25/h6-17,25,31H,5H2,1-4H3/t25-/m1/s1

InChI Key

OTTWGYDEJNIQGL-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14824267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.098

Distribution Coefficient, logD

6.098

Water Solubility, LogSw

-5.68

Polar Surface Area

51.238

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D359-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0081?
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What is the minimum amount of D359-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0081
  • 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 D359-0081 available by request