D280-0081 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)-10-[(E)-2-phenyl-1-ethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D280-0081 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)-10-[(E)-2-phenyl-1-ethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D280-0081 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)-10-[(E)-2-phenyl-1-ethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D280-0081
1,3-dimethyl-5-(4-methylphenyl)-10-[(E)-2-phenyl-1-ethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-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

D280-0081

Molecular Formula

C26H25N3O3 (C26 H25 N3 O3)

Compound Name

1,3-dimethyl-5-(4-methylphenyl)-10-[(E)-2-phenyl-1-ethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

IUPAC name

35-dimethyl-8-(4-methylphenyl)-13-[(1E)-2-phenylethenyl]-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

Cc(cc1)ccc1-c(n(CCOC1/C=C/c2ccccc2)c1c1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C26H25N3O3/c1-17-9-12-19(13-10-17)22-21-24(27(2)26(31)28(3)25(21)30)23-20(32-16-15-29(22)23)14-11-18-7-5-4-6-8-18/h4-14,20H,15-16H2,1-3H3/t20-/m0/s1

InChI Key

LLJBTPIEMSEDAK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD26967688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.104

Distribution Coefficient, logD

5.104

Water Solubility, LogSw

-5.05

Polar Surface Area

40.622

Acid Dissociation Constant (pKa)

26.47

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

D280-0081 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D280-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0081?
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What is the minimum amount of D280-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0081
  • 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 D280-0081 available by request