D477-0859 Screening compound: 6-(2,4-difluorophenyl)-11-(2-fluorophenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D477-0859 Screening compound: 6-(2,4-difluorophenyl)-11-(2-fluorophenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D477-0859 Screening compound: 6-(2,4-difluorophenyl)-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 D477-0859
6-(2,4-difluorophenyl)-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

D477-0859

Molecular Formula

C27H19F3N4O2 (C27 H19 F3 N4 O2)

Compound Name

6-(2,4-difluorophenyl)-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-(24-difluorophenyl)-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)c2NC3c(ccc(F)c2)c2F)C1=O

InChI

InChI=1S/C27H19F3N4O2/c1-32-24-21(26(35)33(2)27(32)36)23(16-7-3-4-8-17(16)29)34-20-10-6-5-9-19(20)31-22(25(24)34)15-12-11-14(28)13-18(15)30/h3-13,22,31H,1-2H3/t22-/m1/s1

InChI Key

UZZKUSSPYOGHCO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14831398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.47

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

5.449

Distribution Coefficient, logD

5.449

Water Solubility, LogSw

-5.50

Polar Surface Area

44.028

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

D477-0859 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D477-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D477-0859?
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What is the minimum amount of D477-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0859
  • 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 D477-0859 available by request