8019-5460 Screening compound: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]oxan-3-yl]acetamide

8019-5460 Screening compound: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]oxan-3-yl]acetamide
8019-5460 Screening compound: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]oxan-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5460
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]oxan-3-yl]acetamide

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

8019-5460

Molecular Formula

C18H23N5O5S (C18 H23 N5 O5 S)

Compound Name

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]oxan-3-yl]acetamide

IUPAC name

N-[(2R3R4R5S6R)-45-dihydroxy-6-(hydroxymethyl)-2-[4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-5-sulfanylidene-45-dihydro-1H-124-triazol-1-yl]oxan-3-yl]acetamide

SMILES

CC(N[C@@H]([C@@H]1O)[C@@H](N2N=C(c3ccncc3)N(CC=C)C2=S)O[C@@H](CO)[C@@H]1O)=O

InChI

InChI=1S/C18H23N5O5S/c1-3-8-22-16(11-4-6-19-7-5-11)21-23(18(22)29)17-13(20-10(2)25)15(27)14(26)12(9-24)28-17/h3-7,12-15,17,24,26-27H,1,8-9H2,2H3,(H,20,25)/t12-,13-,14+,15+,17-/m0/s1

InChI Key

JJHZDSDBHZTDEF-XGYYKPKNSA-N

MDL Number (MFCD)

MFCD10038178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.376

Distribution Coefficient, logD

-0.380

Water Solubility, LogSw

-1.33

Polar Surface Area

108.321

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

44.40

8019-5460 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 8019-5460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5460?
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What is the minimum amount of 8019-5460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5460
  • 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 8019-5460 available by request