D359-0245 Screening compound: 6-(2,5-dihydroxyphenyl)-11-(4-methoxyphenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D359-0245 Screening compound: 6-(2,5-dihydroxyphenyl)-11-(4-methoxyphenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D359-0245 Screening compound: 6-(2,5-dihydroxyphenyl)-11-(4-methoxyphenyl)-7,9-dimethyl-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 D359-0245
6-(2,5-dihydroxyphenyl)-11-(4-methoxyphenyl)-7,9-dimethyl-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

D359-0245

Molecular Formula

C28H24N4O5 (C28 H24 N4 O5)

Compound Name

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

IUPAC name

9-(25-dihydroxyphenyl)-17-(4-methoxyphenyl)-1214-dimethyl-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cc3)ccc3OC)c3n2-c(cccc2)c2NC3c(cc(cc2)O)c2O)C1=O

InChI

InChI=1S/C28H24N4O5/c1-30-25-22(27(35)31(2)28(30)36)24(15-8-11-17(37-3)12-9-15)32-20-7-5-4-6-19(20)29-23(26(25)32)18-14-16(33)10-13-21(18)34/h4-14,23,29,33-34H,1-3H3/t23-/m1/s1

InChI Key

AMJISXIYLMPLLU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14824358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.26

Polar Surface Area

85.736

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D359-0245 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D359-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0245?
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What is the minimum amount of D359-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0245
  • 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 D359-0245 available by request