D477-0819 Screening compound: 6-(3-chlorophenyl)-11-(2-fluorophenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D477-0819 Screening compound: 6-(3-chlorophenyl)-11-(2-fluorophenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D477-0819 Screening compound: 6-(3-chlorophenyl)-11-(2-fluorophenyl)-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 D477-0819
6-(3-chlorophenyl)-11-(2-fluorophenyl)-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

D477-0819

Molecular Formula

C27H20ClFN4O2 (C27 H20 ClFN4 O2)

Compound Name

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

IUPAC name

9-(3-chlorophenyl)-17-(2-fluorophenyl)-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(cccc3)c3F)c3n2-c(cccc2)c2NC3c2cccc(Cl)c2)C1=O

InChI

InChI=1S/C27H20ClFN4O2/c1-31-24-21(26(34)32(2)27(31)35)23(17-10-3-4-11-18(17)29)33-20-13-6-5-12-19(20)30-22(25(24)33)15-8-7-9-16(28)14-15/h3-14,22,30H,1-2H3/t22-/m1/s1

InChI Key

XELCQYIJOUOMQF-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14831384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.93

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

5.769

Distribution Coefficient, logD

5.769

Water Solubility, LogSw

-6.03

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

D477-0819 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

KRAS-Targeted Library (16000 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D477-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D477-0819?
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What is the minimum amount of D477-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0819
  • 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 D477-0819 available by request