8014-1464 Screening compound: 4-(acetyloxy)-5-[4-hydroxy-2-thioxo-1(2H)-pyrimidinyl]-2-{[(4-methylbenzoyl)oxy]methyl}tetrahydro-3-furanyl 4-methylbenzoate

8014-1464 Screening compound: 4-(acetyloxy)-5-[4-hydroxy-2-thioxo-1(2H)-pyrimidinyl]-2-{[(4-methylbenzoyl)oxy]methyl}tetrahydro-3-furanyl 4-methylbenzoate
8014-1464 Screening compound: 4-(acetyloxy)-5-[4-hydroxy-2-thioxo-1(2H)-pyrimidinyl]-2-{[(4-methylbenzoyl)oxy]methyl}tetrahydro-3-furanyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1464
4-(acetyloxy)-5-[4-hydroxy-2-thioxo-1(2H)-pyrimidinyl]-2-{[(4-methylbenzoyl)oxy]methyl}tetrahydro-3-furanyl 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

8014-1464

Molecular Formula

C27H26N2O8S (C27 H26 N2 O8 S)

Compound Name

4-(acetyloxy)-5-[4-hydroxy-2-thioxo-1(2H)-pyrimidinyl]-2-{[(4-methylbenzoyl)oxy]methyl}tetrahydro-3-furanyl 4-methylbenzoate

IUPAC name

4-(acetyloxy)-5-(4-hydroxy-2-sulfanylidene-12-dihydropyrimidin-1-yl)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoate

SMILES

CC(OC1C(N(C=CC(O)=N2)C2=S)OC(COC(c2ccc(C)cc2)=O)C1OC(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C27H26N2O8S/c1-15-4-8-18(9-5-15)25(32)34-14-20-22(37-26(33)19-10-6-16(2)7-11-19)23(35-17(3)30)24(36-20)29-13-12-21(31)28-27(29)38/h4-13,20,22-24H,14H2,1-3H3,(H,28,31,38)

InChI Key

PMFZESFCGSFNDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.58

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.014

Distribution Coefficient, logD

0.532

Water Solubility, LogSw

-4.12

Polar Surface Area

96.884

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

29.63

8014-1464 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 8014-1464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1464?
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What is the minimum amount of 8014-1464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1464
  • 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 8014-1464 available by request