D280-0017 Screening compound: 10-(5-bromo-2-methoxyphenyl)-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

D280-0017 Screening compound: 10-(5-bromo-2-methoxyphenyl)-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
D280-0017 Screening compound: 10-(5-bromo-2-methoxyphenyl)-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 D280-0017
10-(5-bromo-2-methoxyphenyl)-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

D280-0017

Molecular Formula

C24H22BrN3O4 (C24 H22 BrN3 O4)

Compound Name

10-(5-bromo-2-methoxyphenyl)-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-(5-bromo-2-methoxyphenyl)-35-dimethyl-8-phenyl-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

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

InChI

InChI=1S/C24H22BrN3O4/c1-26-20-18(23(29)27(2)24(26)30)19(14-7-5-4-6-8-14)28-11-12-32-22(21(20)28)16-13-15(25)9-10-17(16)31-3/h4-10,13,22H,11-12H2,1-3H3/t22-/m1/s1

InChI Key

FEYMIFREYNNSQB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14816583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.77

Polar Surface Area

48.010

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D280-0017 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 D280-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0017?
Check Price and Availability of D280-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D280-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0017
  • 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 D280-0017 available by request