D477-0831 Screening compound: 4-[11-(2-fluorophenyl)-7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile

D477-0831 Screening compound: 4-[11-(2-fluorophenyl)-7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile
D477-0831 Screening compound: 4-[11-(2-fluorophenyl)-7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D477-0831
4-[11-(2-fluorophenyl)-7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile

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

D477-0831

Molecular Formula

C28H20FN5O2 (C28 H20 FN5 O2)

Compound Name

4-[11-(2-fluorophenyl)-7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile

IUPAC name

4-[17-(2-fluorophenyl)-1214-dimethyl-1315-dioxo-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaen-9-yl]benzonitrile

SMILES

CN(c(c(C(N1C)=O)c2-c(cccc3)c3F)c3n2-c(cccc2)c2NC3c(cc2)ccc2C#N)C1=O

InChI

InChI=1S/C28H20FN5O2/c1-32-25-22(27(35)33(2)28(32)36)24(18-7-3-4-8-19(18)29)34-21-10-6-5-9-20(21)31-23(26(25)34)17-13-11-16(15-30)12-14-17/h3-14,23,31H,1-2H3/t23-/m0/s1

InChI Key

GUHRAHMJIIJXDY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14831392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.72

Polar Surface Area

61.084

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with D477-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D477-0831?
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What is the minimum amount of D477-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0831
  • 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 D477-0831 available by request