8013-6217 Screening compound: N-[2-(4-chlorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

8013-6217 Screening compound: N-[2-(4-chlorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
8013-6217 Screening compound: N-[2-(4-chlorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6217
N-[2-(4-chlorophenoxy)-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

8013-6217

Molecular Formula

C14H18ClNO6 (C14 H18 ClNO6)

Compound Name

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

IUPAC name

N-[(2S3R4R5S6R)-2-(4-chlorophenoxy)-45-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

SMILES

CC(N[C@@H]([C@@H]1O)[C@@H](Oc(cc2)ccc2Cl)O[C@@H](CO)[C@@H]1O)=O

InChI

InChI=1S/C14H18ClNO6/c1-7(18)16-11-13(20)12(19)10(6-17)22-14(11)21-9-4-2-8(15)3-5-9/h2-5,10-14,17,19-20H,6H2,1H3,(H,16,18)/t10-,11-,12+,13+,14-/m0/s1

InChI Key

UTBWZDLYARDESN-QNSTZXKLSA-N

MDL Number (MFCD)

MFCD03041857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.273

Distribution Coefficient, logD

0.273

Water Solubility, LogSw

-1.80

Polar Surface Area

89.485

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

8013-6217 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8013-6217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6217?
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What is the minimum amount of 8013-6217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6217
  • 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 8013-6217 available by request