D477-0959 Screening compound: 11-(2-fluorophenyl)-2,3,7,9-tetramethyl-6-(5-methyl-2-furyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D477-0959 Screening compound: 11-(2-fluorophenyl)-2,3,7,9-tetramethyl-6-(5-methyl-2-furyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D477-0959 Screening compound: 11-(2-fluorophenyl)-2,3,7,9-tetramethyl-6-(5-methyl-2-furyl)-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 D477-0959
11-(2-fluorophenyl)-2,3,7,9-tetramethyl-6-(5-methyl-2-furyl)-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

D477-0959

Molecular Formula

C28H25FN4O3 (C28 H25 FN4 O3)

Compound Name

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

IUPAC name

17-(2-fluorophenyl)-451214-tetramethyl-9-(5-methylfuran-2-yl)-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

Cc1ccc(C(c2c3N(C)C(N4C)=O)Nc(cc(C)c(C)c5)c5-n2c(-c(cccc2)c2F)c3C4=O)o1

InChI

InChI=1S/C28H25FN4O3/c1-14-12-19-20(13-15(14)2)33-24(17-8-6-7-9-18(17)29)22-25(31(4)28(35)32(5)27(22)34)26(33)23(30-19)21-11-10-16(3)36-21/h6-13,23,30H,1-5H3/t23-/m1/s1

InChI Key

NOWHIMIREYXTHD-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14831406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.789

Distribution Coefficient, logD

5.789

Water Solubility, LogSw

-5.59

Polar Surface Area

52.120

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D477-0959 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D477-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D477-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0959
  • 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 D477-0959 available by request