0827-0416 Screening compound: 2-[(4-ethoxy-2-nitrophenyl)amino]-6-methyloxane-3,4,5-triol

0827-0416 Screening compound: 2-[(4-ethoxy-2-nitrophenyl)amino]-6-methyloxane-3,4,5-triol
0827-0416 Screening compound: 2-[(4-ethoxy-2-nitrophenyl)amino]-6-methyloxane-3,4,5-triol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0827-0416
2-[(4-ethoxy-2-nitrophenyl)amino]-6-methyloxane-3,4,5-triol

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

0827-0416

Molecular Formula

C14H20N2O7 (C14 H20 N2 O7)

Compound Name

2-[(4-ethoxy-2-nitrophenyl)amino]-6-methyloxane-3,4,5-triol

IUPAC name

2-[(4-ethoxy-2-nitrophenyl)amino]-6-methyloxane-345-triol

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1NC(C(C1O)O)OC(C)C1O

InChI

InChI=1S/C14H20N2O7/c1-3-22-8-4-5-9(10(6-8)16(20)21)15-14-13(19)12(18)11(17)7(2)23-14/h4-7,11-15,17-19H,3H2,1-2H3

InChI Key

JZIXSJLUBHNHOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00638823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.317

Distribution Coefficient, logD

1.317

Water Solubility, LogSw

-2.22

Polar Surface Area

105.118

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

57.10

0827-0416 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 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 0827-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0827-0416?
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What is the minimum amount of 0827-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0827-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0827-0416
  • 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 0827-0416 available by request