D383-0027 Screening compound: 5-(4-bromophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D383-0027 Screening compound: 5-(4-bromophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D383-0027 Screening compound: 5-(4-bromophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-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 D383-0027
5-(4-bromophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-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

D383-0027

Molecular Formula

C23H20BrN3O5 (C23 H20 BrN3 O5)

Compound Name

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

IUPAC name

8-(4-bromophenyl)-13-(34-dihydroxyphenyl)-35-dimethyl-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(C(c(cc2)cc(O)c2O)OCC2)n2c(-c(cc2)ccc2Br)c1C(N1C)=O)C1=O

InChI

InChI=1S/C23H20BrN3O5/c1-25-19-17(22(30)26(2)23(25)31)18(12-3-6-14(24)7-4-12)27-9-10-32-21(20(19)27)13-5-8-15(28)16(29)11-13/h3-8,11,21,28-29H,9-10H2,1-2H3/t21-/m1/s1

InChI Key

GWNGTGIWYITORJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09796804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.787

Water Solubility, LogSw

-3.86

Polar Surface Area

73.476

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D383-0027 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D383-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D383-0027?
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What is the minimum amount of D383-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D383-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D383-0027
  • 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 D383-0027 available by request