8020-5508 Screening compound: (2S,3S,4R,5S)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-({[2-(2-hydroxybenzoyl)hydrazino]carbothioyl}amino)tetrahydro-2H-pyran-3-yl acetate

8020-5508 Screening compound: (2S,3S,4R,5S)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-({[2-(2-hydroxybenzoyl)hydrazino]carbothioyl}amino)tetrahydro-2H-pyran-3-yl acetate
8020-5508 Screening compound: (2S,3S,4R,5S)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-({[2-(2-hydroxybenzoyl)hydrazino]carbothioyl}amino)tetrahydro-2H-pyran-3-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5508
(2S,3S,4R,5S)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-({[2-(2-hydroxybenzoyl)hydrazino]carbothioyl}amino)tetrahydro-2H-pyran-3-yl acetate

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

8020-5508

Molecular Formula

C22H27N3O11S (C22 H27 N3 O11 S)

Compound Name

(2S,3S,4R,5S)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-({[2-(2-hydroxybenzoyl)hydrazino]carbothioyl}amino)tetrahydro-2H-pyran-3-yl acetate

IUPAC name

[(3S6S)-345-tris(acetyloxy)-6-({[(2-hydroxyphenyl)formohydrazido]methanethioyl}amino)oxan-2-yl]methyl acetate

SMILES

CC(OCC([C@@H](C(C1OC(C)=O)OC(C)=O)OC(C)=O)O[C@@H]1NC(NNC(c(cccc1)c1O)=O)=S)=O

InChI

InChI=1S/C22H27N3O11S/c1-10(26)32-9-16-17(33-11(2)27)18(34-12(3)28)19(35-13(4)29)21(36-16)23-22(37)25-24-20(31)14-7-5-6-8-15(14)30/h5-8,16-19,21,30H,9H2,1-4H3,(H,24,31)(H2,23,25,37)/t16?,17-,18?,19?,21+/m1/s1

InChI Key

NEYMOLUACVSIEA-LYSKGYAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.54

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.397

Distribution Coefficient, logD

-0.388

Water Solubility, LogSw

-2.29

Polar Surface Area

155.524

Acid Dissociation Constant (pKa)

5.62

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

45.46

8020-5508 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8020-5508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5508?
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What is the minimum amount of 8020-5508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5508
  • 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 8020-5508 available by request