D477-0874 Screening compound: 11-(2-fluorophenyl)-6-(4-hydroxy-2-methylphenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D477-0874 Screening compound: 11-(2-fluorophenyl)-6-(4-hydroxy-2-methylphenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D477-0874 Screening compound: 11-(2-fluorophenyl)-6-(4-hydroxy-2-methylphenyl)-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 D477-0874
11-(2-fluorophenyl)-6-(4-hydroxy-2-methylphenyl)-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

D477-0874

Molecular Formula

C28H23FN4O3 (C28 H23 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(c2c3N(C)C(N4C)=O)Nc(cccc5)c5-n2c(-c(cccc2)c2F)c3C4=O)ccc(O)c1

InChI

InChI=1S/C28H23FN4O3/c1-15-14-16(34)12-13-17(15)23-26-25-22(27(35)32(3)28(36)31(25)2)24(18-8-4-5-9-19(18)29)33(26)21-11-7-6-10-20(21)30-23/h4-14,23,30,34H,1-3H3/t23-/m0/s1

InChI Key

AENHHXABVQZSCO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14831399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.957

Distribution Coefficient, logD

4.954

Water Solubility, LogSw

-4.65

Polar Surface Area

61.645

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D477-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D477-0874?
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What is the minimum amount of D477-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0874
  • 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 D477-0874 available by request