D477-0106 Screening compound: 4-[2,7,9-trimethyl-11-(2-methylphenyl)-8,10-dioxo-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazin-6-yl]benzonitrile

D477-0106 Screening compound: 4-[2,7,9-trimethyl-11-(2-methylphenyl)-8,10-dioxo-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazin-6-yl]benzonitrile
D477-0106 Screening compound: 4-[2,7,9-trimethyl-11-(2-methylphenyl)-8,10-dioxo-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazin-6-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D477-0106
4-[2,7,9-trimethyl-11-(2-methylphenyl)-8,10-dioxo-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazin-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

D477-0106

Molecular Formula

C30H24N4O3 (C30 H24 N4 O3)

Compound Name

4-[2,7,9-trimethyl-11-(2-methylphenyl)-8,10-dioxo-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazin-6-yl]benzonitrile

IUPAC name

4-[41214-trimethyl-17-(2-methylphenyl)-1315-dioxo-8-oxa-11214-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaen-9-yl]benzonitrile

SMILES

Cc(cc1)cc(-n(c2c3N(C)C(N4C)=O)c(-c5c(C)cccc5)c3C4=O)c1OC2c(cc1)ccc1C#N

InChI

InChI=1S/C30H24N4O3/c1-17-9-14-23-22(15-17)34-25(21-8-6-5-7-18(21)2)24-26(32(3)30(36)33(4)29(24)35)27(34)28(37-23)20-12-10-19(16-31)11-13-20/h5-15,28H,1-4H3/t28-/m1/s1

InChI Key

JZYMHQZRIJPNJF-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD14831307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.818

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-5.58

Polar Surface Area

56.619

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

-4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D477-0106 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D477-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D477-0106?
Check Price and Availability of D477-0106, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D477-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0106
  • 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 D477-0106 available by request