0527-0203 Screening compound: 2-(hydroxymethyl)-6-[(2-methyl-5-nitrophenyl)amino]oxane-3,4,5-triol

0527-0203 Screening compound: 2-(hydroxymethyl)-6-[(2-methyl-5-nitrophenyl)amino]oxane-3,4,5-triol
0527-0203 Screening compound: 2-(hydroxymethyl)-6-[(2-methyl-5-nitrophenyl)amino]oxane-3,4,5-triol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0527-0203
2-(hydroxymethyl)-6-[(2-methyl-5-nitrophenyl)amino]oxane-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

0527-0203

Molecular Formula

C13H18N2O7 (C13 H18 N2 O7)

Compound Name

2-(hydroxymethyl)-6-[(2-methyl-5-nitrophenyl)amino]oxane-3,4,5-triol

IUPAC name

2-(hydroxymethyl)-6-[(2-methyl-5-nitrophenyl)amino]oxane-345-triol

SMILES

Cc(ccc([N+]([O-])=O)c1)c1NC(C(C1O)O)OC(CO)C1O

InChI

InChI=1S/C13H18N2O7/c1-6-2-3-7(15(20)21)4-8(6)14-13-12(19)11(18)10(17)9(5-16)22-13/h2-4,9-14,16-19H,5H2,1H3

InChI Key

ZRDULDSITSDCQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00638838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.222

Distribution Coefficient, logD

-0.222

Water Solubility, LogSw

-1.87

Polar Surface Area

115.605

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

53.80

0527-0203 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0527-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0527-0203?
Check Price and Availability of 0527-0203, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0527-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0527-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0527-0203
  • 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 0527-0203 available by request