4298-0800 Screening compound: [3,4,5-tris(acetyloxy)-6-{4-[(3-bromo-4-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl}oxan-2-yl]methyl acetate

4298-0800 Screening compound: [3,4,5-tris(acetyloxy)-6-{4-[(3-bromo-4-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl}oxan-2-yl]methyl acetate
4298-0800 Screening compound: [3,4,5-tris(acetyloxy)-6-{4-[(3-bromo-4-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl}oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0800
[3,4,5-tris(acetyloxy)-6-{4-[(3-bromo-4-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl}oxan-2-yl]methyl acetate

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

4298-0800

Molecular Formula

C25H28BrN3O12 (C25 H28 BrN3 O12)

Compound Name

[3,4,5-tris(acetyloxy)-6-{4-[(3-bromo-4-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl}oxan-2-yl]methyl acetate

IUPAC name

[345-tris(acetyloxy)-6-{4-[(3-bromo-4-methoxyphenyl)methyl]-35-dioxo-2345-tetrahydro-124-triazin-2-yl}oxan-2-yl]methyl acetate

SMILES

CC(OCC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)OC1N(C(N1Cc(cc2)cc(Br)c2OC)=O)N=CC1=O)=O

InChI

InChI=1S/C25H28BrN3O12/c1-12(30)37-11-19-21(38-13(2)31)22(39-14(3)32)23(40-15(4)33)24(41-19)29-25(35)28(20(34)9-27-29)10-16-6-7-18(36-5)17(26)8-16/h6-9,19,21-24H,10-11H2,1-5H3

InChI Key

QAIRZTMCRBBBNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02030030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

642.41

Hydrogen Bond Acceptors Count

19.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

1.880

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-2.51

Polar Surface Area

140.792

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

48.00

4298-0800 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4298-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0800?
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What is the minimum amount of 4298-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0800
  • 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 4298-0800 available by request