4953-1999 Screening compound: 5-[(3,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

4953-1999 Screening compound: 5-[(3,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
4953-1999 Screening compound: 5-[(3,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1999
5-[(3,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

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

4953-1999

Molecular Formula

C17H15N3O4 (C17 H15 N3 O4)

Compound Name

5-[(3,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

IUPAC name

5-[(34-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-124-oxadiazole

SMILES

Cc(cc1)c(C)cc1OCc1nc(-c(cc2)ccc2[N+]([O-])=O)no1

InChI

InChI=1S/C17H15N3O4/c1-11-3-8-15(9-12(11)2)23-10-16-18-17(19-24-16)13-4-6-14(7-5-13)20(21)22/h3-9H,10H2,1-2H3

InChI Key

PQLQFAXGSVMKDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03143408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.970

Distribution Coefficient, logD

4.970

Water Solubility, LogSw

-4.76

Polar Surface Area

72.190

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4953-1999 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4953-1999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1999?
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What is the minimum amount of 4953-1999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1999
  • 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 4953-1999 available by request