D359-0100 Screening compound: 4-[7,9-dimethyl-11-(4-methylphenyl)-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile

D359-0100 Screening compound: 4-[7,9-dimethyl-11-(4-methylphenyl)-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile
D359-0100 Screening compound: 4-[7,9-dimethyl-11-(4-methylphenyl)-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 D359-0100
4-[7,9-dimethyl-11-(4-methylphenyl)-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

D359-0100

Molecular Formula

C29H23N5O2 (C29 H23 N5 O2)

Compound Name

4-[7,9-dimethyl-11-(4-methylphenyl)-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-[1214-dimethyl-17-(4-methylphenyl)-1315-dioxo-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaen-9-yl]benzonitrile

SMILES

Cc(cc1)ccc1-c(n(c1c2N(C)C(N3C)=O)-c(cccc4)c4NC1c(cc1)ccc1C#N)c2C3=O

InChI

InChI=1S/C29H23N5O2/c1-17-8-12-20(13-9-17)25-23-26(32(2)29(36)33(3)28(23)35)27-24(19-14-10-18(16-30)11-15-19)31-21-6-4-5-7-22(21)34(25)27/h4-15,24,31H,1-3H3/t24-/m1/s1

InChI Key

PEPRWCJBJTZDMO-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14824278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

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

5.111

Distribution Coefficient, logD

5.111

Water Solubility, LogSw

-5.13

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

13.80

D359-0100 in Drug Discovery

Included in Screening Libraries

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 D359-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0100?
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What is the minimum amount of D359-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0100
  • 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 D359-0100 available by request