8020-6629 Screening compound: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-4-morpholino-2(1H)-pyrimidinone

8020-6629 Screening compound: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-4-morpholino-2(1H)-pyrimidinone
8020-6629 Screening compound: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-4-morpholino-2(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6629
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-4-morpholino-2(1H)-pyrimidinone

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

8020-6629

Molecular Formula

C13H19N3O6 (C13 H19 N3 O6)

Compound Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-4-morpholino-2(1H)-pyrimidinone

IUPAC name

1-[(2R3R4S5R)-34-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-yl)-12-dihydropyrimidin-2-one

SMILES

OC[C@@H]([C@@H]([C@@H]1O)O)O[C@@H]1N(C=CC(N1CCOCC1)=N1)C1=O

InChI

InChI=1S/C13H19N3O6/c17-7-8-10(18)11(19)12(22-8)16-2-1-9(14-13(16)20)15-3-5-21-6-4-15/h1-2,8,10-12,17-19H,3-7H2/t8-,10-,11+,12+/m1/s1

InChI Key

LEFWDKOHIIIMGP-YJQGPUDQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.138

Distribution Coefficient, logD

-1.138

Water Solubility, LogSw

-0.27

Polar Surface Area

92.244

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

69.23

8020-6629 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8020-6629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6629?
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What is the minimum amount of 8020-6629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6629
  • 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 8020-6629 available by request