D477-0244 Screening compound: 7,9-dimethyl-11-(4-methylphenyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione

D477-0244 Screening compound: 7,9-dimethyl-11-(4-methylphenyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione
D477-0244 Screening compound: 7,9-dimethyl-11-(4-methylphenyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D477-0244
7,9-dimethyl-11-(4-methylphenyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,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

D477-0244

Molecular Formula

C22H19N3O3 (C22 H19 N3 O3)

Compound Name

7,9-dimethyl-11-(4-methylphenyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione

IUPAC name

1214-dimethyl-17-(4-methylphenyl)-8-oxa-11214-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

Cc(cc1)ccc1-c(n1-c(cccc2)c2OCc1c1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C22H19N3O3/c1-13-8-10-14(11-9-13)19-18-20(23(2)22(27)24(3)21(18)26)16-12-28-17-7-5-4-6-15(17)25(16)19/h4-11H,12H2,1-3H3

InChI Key

WSUJCQSJRLYGQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-4.02

Polar Surface Area

40.945

Acid Dissociation Constant (pKa)

27.11

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D477-0244 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D477-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D477-0244?
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What is the minimum amount of D477-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0244
  • 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 D477-0244 available by request