6160-0006 Screening compound: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

6160-0006 Screening compound: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
6160-0006 Screening compound: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6160-0006
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

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

6160-0006

Molecular Formula

C9H12N2O5S (C9 H12 N2 O5 S)

Compound Name

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

IUPAC name

1-[(2R5R)-34-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

OC[C@@H](C(C1O)O)O[C@@H]1N(C=CC(N1)=O)C1=S

InChI

InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6?,7?,8+/m1/s1

InChI Key

GJTBSTBJLVYKAU-QJVZYOFFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.251

Distribution Coefficient, logD

-1.252

Water Solubility, LogSw

-1.63

Polar Surface Area

83.857

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

55.60

6160-0006 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Nucleoside Mimetics Library (2197 compounds)

Regenerative Medicine Focused Library (23016 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6160-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6160-0006?
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What is the minimum amount of 6160-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6160-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6160-0006
  • 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 6160-0006 available by request