2023-0413 Screening compound: 4-chloro-2-nitro-N-{2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propyl}aniline

2023-0413 Screening compound: 4-chloro-2-nitro-N-{2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propyl}aniline
2023-0413 Screening compound: 4-chloro-2-nitro-N-{2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2023-0413
4-chloro-2-nitro-N-{2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propyl}aniline

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

2023-0413

Molecular Formula

C17H15ClN4O4 (C17 H15 ClN4 O4)

Compound Name

4-chloro-2-nitro-N-{2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propyl}aniline

IUPAC name

4-chloro-2-nitro-N-{2-[(4-phenyl-125-oxadiazol-3-yl)oxy]propyl}aniline

SMILES

CC(CNc(ccc(Cl)c1)c1[N+]([O-])=O)Oc1nonc1-c1ccccc1

InChI

InChI=1S/C17H15ClN4O4/c1-11(10-19-14-8-7-13(18)9-15(14)22(23)24)25-17-16(20-26-21-17)12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3/t11-/m0/s1

InChI Key

RSNLEHIDYSGPSG-NSHDSACASA-N

MDL Number (MFCD)

MFCD00365180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.055

Distribution Coefficient, logD

5.055

Water Solubility, LogSw

-5.26

Polar Surface Area

86.416

Acid Dissociation Constant (pKa)

16.69

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 2023-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2023-0413?
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What is the minimum amount of 2023-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2023-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2023-0413
  • 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 2023-0413 available by request