8020-4187 Screening compound: (2R,3R,4S,5R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-({[2-(3-pyridyl)piperidino]carbothioyl}amino)tetrahydro-2H-pyran-3-yl acetate

8020-4187 Screening compound: (2R,3R,4S,5R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-({[2-(3-pyridyl)piperidino]carbothioyl}amino)tetrahydro-2H-pyran-3-yl acetate
8020-4187 Screening compound: (2R,3R,4S,5R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-({[2-(3-pyridyl)piperidino]carbothioyl}amino)tetrahydro-2H-pyran-3-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4187
(2R,3R,4S,5R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-({[2-(3-pyridyl)piperidino]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

8020-4187

Molecular Formula

C25H33N3O9S (C25 H33 N3 O9 S)

Compound Name

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

IUPAC name

[(3R6R)-345-tris(acetyloxy)-6-{[2-(pyridin-3-yl)piperidine-1-carbothioyl]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(N(CCCC1)C1c1cnccc1)=S)=O

InChI

InChI=1S/C25H33N3O9S/c1-14(29)33-13-20-21(34-15(2)30)22(35-16(3)31)23(36-17(4)32)24(37-20)27-25(38)28-11-6-5-9-19(28)18-8-7-10-26-12-18/h7-8,10,12,19-24H,5-6,9,11,13H2,1-4H3,(H,27,38)/t19?,20?,21-,22?,23?,24+/m1/s1

InChI Key

BPDBXEVYPPWFPU-DYNXZRPGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.62

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.670

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-1.70

Polar Surface Area

111.887

Acid Dissociation Constant (pKa)

17.95

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 8020-4187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4187?
Check Price and Availability of 8020-4187, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-4187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4187
  • 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 8020-4187 available by request