D280-0283 Screening compound: 1,3-dimethyl-5-(3-nitrophenyl)-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

D280-0283 Screening compound: 1,3-dimethyl-5-(3-nitrophenyl)-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
D280-0283 Screening compound: 1,3-dimethyl-5-(3-nitrophenyl)-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 D280-0283
1,3-dimethyl-5-(3-nitrophenyl)-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

D280-0283

Molecular Formula

C25H22N4O5 (C25 H22 N4 O5)

Compound Name

1,3-dimethyl-5-(3-nitrophenyl)-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-(3-nitrophenyl)-13-[(1E)-2-phenylethenyl]-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(C(/C=C/c2ccccc2)OCC2)n2c(-c2cccc([N+]([O-])=O)c2)c1C(N1C)=O)C1=O

InChI

InChI=1S/C25H22N4O5/c1-26-23-20(24(30)27(2)25(26)31)21(17-9-6-10-18(15-17)29(32)33)28-13-14-34-19(22(23)28)12-11-16-7-4-3-5-8-16/h3-12,15,19H,13-14H2,1-2H3/t19-/m0/s1

InChI Key

JNFLPLICECYKHX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14816605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

4.713

Water Solubility, LogSw

-4.59

Polar Surface Area

74.004

Acid Dissociation Constant (pKa)

26.47

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D280-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0283?
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What is the minimum amount of D280-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0283
  • 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 D280-0283 available by request