D359-0039 Screening compound: 6-(2-hydroxy-5-nitrophenyl)-7,9-dimethyl-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D359-0039 Screening compound: 6-(2-hydroxy-5-nitrophenyl)-7,9-dimethyl-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D359-0039 Screening compound: 6-(2-hydroxy-5-nitrophenyl)-7,9-dimethyl-11-phenyl-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 D359-0039
6-(2-hydroxy-5-nitrophenyl)-7,9-dimethyl-11-phenyl-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

D359-0039

Molecular Formula

C27H21N5O5 (C27 H21 N5 O5)

Compound Name

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

IUPAC name

9-(2-hydroxy-5-nitrophenyl)-1214-dimethyl-17-phenyl-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

CN(c(c(C(N1C)=O)c2-c3ccccc3)c3n2-c(cccc2)c2NC3c(cc(cc2)[N+]([O-])=O)c2O)C1=O

InChI

InChI=1S/C27H21N5O5/c1-29-24-21(26(34)30(2)27(29)35)23(15-8-4-3-5-9-15)31-19-11-7-6-10-18(19)28-22(25(24)31)17-14-16(32(36)37)12-13-20(17)33/h3-14,22,28,33H,1-2H3/t22-/m1/s1

InChI Key

JCLFREWUOHYODM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14824238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.795

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.50

Polar Surface Area

93.957

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with D359-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0039?
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What is the minimum amount of D359-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0039
  • 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 D359-0039 available by request