8013-6219 Screening compound: N-[2-(butan-2-yloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

8013-6219 Screening compound: N-[2-(butan-2-yloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
8013-6219 Screening compound: N-[2-(butan-2-yloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6219
N-[2-(butan-2-yloxy)-4,5-dihydroxy-6-(hydroxymethyl)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

8013-6219

Molecular Formula

C12H23NO6 (C12 H23 NO6)

Compound Name

N-[2-(butan-2-yloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

IUPAC name

N-[(2R3R4R5S6R)-2-(butan-2-yloxy)-45-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

SMILES

CCC(C)O[C@H]([C@H]([C@@H]1O)NC(C)=O)O[C@@H](CO)[C@@H]1O

InChI

InChI=1S/C12H23NO6/c1-4-6(2)18-12-9(13-7(3)15)11(17)10(16)8(5-14)19-12/h6,8-12,14,16-17H,4-5H2,1-3H3,(H,13,15)/t6?,8-,9+,10-,11+,12+/m1/s1

InChI Key

OULDILXOVFVVGR-JSQWHDFLSA-N

MDL Number (MFCD)

MFCD02128815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.457

Distribution Coefficient, logD

-0.457

Water Solubility, LogSw

-0.41

Polar Surface Area

89.423

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

91.70

8013-6219 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-6219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6219?
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What is the minimum amount of 8013-6219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6219
  • 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 8013-6219 available by request