D280-0031 Screening compound: 10-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D280-0031 Screening compound: 10-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D280-0031 Screening compound: 10-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-phenyl-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 D280-0031
10-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-phenyl-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

D280-0031

Molecular Formula

C25H25N3O5 (C25 H25 N3 O5)

Compound Name

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

IUPAC name

13-(34-dimethoxyphenyl)-35-dimethyl-8-phenyl-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(C(c(cc2)cc(OC)c2OC)OCC2)n2c(-c2ccccc2)c1C(N1C)=O)C1=O

InChI

InChI=1S/C25H25N3O5/c1-26-21-19(24(29)27(2)25(26)30)20(15-8-6-5-7-9-15)28-12-13-33-23(22(21)28)16-10-11-17(31-3)18(14-16)32-4/h5-11,14,23H,12-13H2,1-4H3/t23-/m1/s1

InChI Key

NWDCQZUNVDOHNJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06788992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.92

Polar Surface Area

55.641

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

D280-0031 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D280-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0031?
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What is the minimum amount of D280-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0031
  • 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 D280-0031 available by request