8008-8269 Screening compound: 5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-(4-methylbenzoyloxy)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoate

8008-8269 Screening compound: 5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-(4-methylbenzoyloxy)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoate
8008-8269 Screening compound: 5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-(4-methylbenzoyloxy)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8269
5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-(4-methylbenzoyloxy)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoate

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

8008-8269

Molecular Formula

C34H32N2O9 (C34 H32 N2 O9)

Compound Name

5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-(4-methylbenzoyloxy)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoate

IUPAC name

5-(5-methyl-24-dioxo-1234-tetrahydropyrimidin-1-yl)-4-(4-methylbenzoyloxy)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(OCC(C(C1OC(c2ccc(C)cc2)=O)OC(c2ccc(C)cc2)=O)OC1N(C=C(C)C(N1)=O)C1=O)=O

InChI

InChI=1S/C34H32N2O9/c1-19-5-11-23(12-6-19)31(38)42-18-26-27(44-32(39)24-13-7-20(2)8-14-24)28(45-33(40)25-15-9-21(3)10-16-25)30(43-26)36-17-22(4)29(37)35-34(36)41/h5-17,26-28,30H,18H2,1-4H3,(H,35,37,41)

InChI Key

NWSAPOVDIHNPRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.64

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.245

Distribution Coefficient, logD

6.245

Water Solubility, LogSw

-5.62

Polar Surface Area

109.874

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

26.50

8008-8269 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 8008-8269 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8008-8269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8269
  • 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 8008-8269 available by request