D359-0051 Screening compound: 4-(7,9-dimethyl-8,10-dioxo-11-phenyl-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl)benzonitrile

D359-0051 Screening compound: 4-(7,9-dimethyl-8,10-dioxo-11-phenyl-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl)benzonitrile
D359-0051 Screening compound: 4-(7,9-dimethyl-8,10-dioxo-11-phenyl-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 D359-0051
4-(7,9-dimethyl-8,10-dioxo-11-phenyl-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

D359-0051

Molecular Formula

C28H21N5O2 (C28 H21 N5 O2)

Compound Name

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

IUPAC name

4-{1214-dimethyl-1315-dioxo-17-phenyl-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-c3ccccc3)c3n2-c(cccc2)c2NC3c(cc2)ccc2C#N)C1=O

InChI

InChI=1S/C28H21N5O2/c1-31-25-22(27(34)32(2)28(31)35)24(19-8-4-3-5-9-19)33-21-11-7-6-10-20(21)30-23(26(25)33)18-14-12-17(16-29)13-15-18/h3-15,23,30H,1-2H3/t23-/m1/s1

InChI Key

PEYZEPPPISGRLR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14824245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.51

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

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.59

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

D359-0051 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Therapeutical Diversity Annotated Library (7563 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 D359-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0051?
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What is the minimum amount of D359-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0051
  • 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 D359-0051 available by request