0527-0278 Screening compound: 2-(4-ethoxy-2-nitroanilino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

0527-0278 Screening compound: 2-(4-ethoxy-2-nitroanilino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
0527-0278 Screening compound: 2-(4-ethoxy-2-nitroanilino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0527-0278
2-(4-ethoxy-2-nitroanilino)-6-(hydroxymethyl)tetrahydro-2H-pyran-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

0527-0278

Molecular Formula

C14H20N2O8 (C14 H20 N2 O8)

Compound Name

2-(4-ethoxy-2-nitroanilino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H20N2O8/c1-2-23-7-3-4-8(9(5-7)16(21)22)15-14-13(20)12(19)11(18)10(6-17)24-14/h3-5,10-15,17-20H,2,6H2,1H3

InChI Key

WBWUDFNTAWEUMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00555542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.292

Distribution Coefficient, logD

0.292

Water Solubility, LogSw

-2.04

Polar Surface Area

122.427

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

57.14

0527-0278 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0527-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0527-0278?
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What is the minimum amount of 0527-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0527-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0527-0278
  • 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 0527-0278 available by request