D359-0056 Screening compound: 6-(2,3-difluorophenyl)-7,9-dimethyl-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D359-0056 Screening compound: 6-(2,3-difluorophenyl)-7,9-dimethyl-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D359-0056 Screening compound: 6-(2,3-difluorophenyl)-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 D359-0056
6-(2,3-difluorophenyl)-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

D359-0056

Molecular Formula

C27H20F2N4O2 (C27 H20 F2 N4 O2)

Compound Name

6-(2,3-difluorophenyl)-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-(23-difluorophenyl)-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)c2NC3c2cccc(F)c2F)C1=O

InChI

InChI=1S/C27H20F2N4O2/c1-31-24-20(26(34)32(2)27(31)35)23(15-9-4-3-5-10-15)33-19-14-7-6-13-18(19)30-22(25(24)33)16-11-8-12-17(28)21(16)29/h3-14,22,30H,1-2H3/t22-/m1/s1

InChI Key

XIWPTFSFHIONSN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14824247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.63

Polar Surface Area

44.028

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

D359-0056 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D359-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0056?
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What is the minimum amount of D359-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0056
  • 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 D359-0056 available by request