8019-8247 Screening compound: 5-(4-amino-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate

8019-8247 Screening compound: 5-(4-amino-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate
8019-8247 Screening compound: 5-(4-amino-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8247
5-(4-amino-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate

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

8019-8247

Molecular Formula

C24H23N3O6 (C24 H23 N3 O6)

Compound Name

5-(4-amino-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate

IUPAC name

(2R5R)-5-(4-amino-5-methyl-2-oxo-12-dihydropyrimidin-1-yl)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate

SMILES

CC(C(N)=N1)=CN([C@H](C2)O[C@@H](COC(c3ccccc3)=O)C2OC(c2ccccc2)=O)C1=O

InChI

InChI=1S/C24H23N3O6/c1-15-13-27(24(30)26-21(15)25)20-12-18(33-23(29)17-10-6-3-7-11-17)19(32-20)14-31-22(28)16-8-4-2-5-9-16/h2-11,13,18-20H,12,14H2,1H3,(H2,25,26,30)/t18?,19-,20+/m1/s1

InChI Key

NCTJUBXGPJXNME-HUSUDBNBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.41

Polar Surface Area

94.500

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

8019-8247 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8019-8247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8247?
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What is the minimum amount of 8019-8247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8247
  • 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 8019-8247 available by request