D011-1398 Screening compound: N-{2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}acetamide

D011-1398 Screening compound: N-{2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}acetamide
D011-1398 Screening compound: N-{2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-1398
N-{2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]-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

D011-1398

Molecular Formula

C18H22N2O8 (C18 H22 N2 O8)

Compound Name

N-{2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}acetamide

IUPAC name

N-[(2R3R4R5S6R)-2-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)ethoxy]-45-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

SMILES

CC(N[C@@H]([C@@H]1O)[C@@H](OCCN(C(c2c3cccc2)=O)C3=O)O[C@@H](CO)[C@@H]1O)=O

InChI

InChI=1S/C18H22N2O8/c1-9(22)19-13-15(24)14(23)12(8-21)28-18(13)27-7-6-20-16(25)10-4-2-3-5-11(10)17(20)26/h2-5,12-15,18,21,23-24H,6-8H2,1H3,(H,19,22)/t12-,13-,14+,15+,18-/m0/s1

InChI Key

MDZVGYXIHPWDNV-YPIIOCQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.320

Distribution Coefficient, logD

-1.320

Water Solubility, LogSw

-1.97

Polar Surface Area

119.386

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

D011-1398 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D011-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-1398?
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What is the minimum amount of D011-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-1398
  • 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 D011-1398 available by request