8003-5229 Screening compound: 2-(hydroxymethyl)-5-(4-methyl-3-nitroanilino)tetrahydro-3-furanol

8003-5229 Screening compound: 2-(hydroxymethyl)-5-(4-methyl-3-nitroanilino)tetrahydro-3-furanol
8003-5229 Screening compound: 2-(hydroxymethyl)-5-(4-methyl-3-nitroanilino)tetrahydro-3-furanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5229
2-(hydroxymethyl)-5-(4-methyl-3-nitroanilino)tetrahydro-3-furanol

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

8003-5229

Molecular Formula

C12H16N2O5 (C12 H16 N2 O5)

Compound Name

2-(hydroxymethyl)-5-(4-methyl-3-nitroanilino)tetrahydro-3-furanol

IUPAC name

2-(hydroxymethyl)-5-[(4-methyl-3-nitrophenyl)amino]oxolan-3-ol

SMILES

Cc(ccc(NC(C1)OC(CO)C1O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C12H16N2O5/c1-7-2-3-8(4-9(7)14(17)18)13-12-5-10(16)11(6-15)19-12/h2-4,10-13,15-16H,5-6H2,1H3

InChI Key

MBXAQKREJCGGLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.344

Distribution Coefficient, logD

1.344

Water Solubility, LogSw

-2.05

Polar Surface Area

84.449

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

8003-5229 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8003-5229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5229?
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What is the minimum amount of 8003-5229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5229
  • 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 8003-5229 available by request