1514-0314 Screening compound: 2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide

1514-0314 Screening compound: 2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide
1514-0314 Screening compound: 2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1514-0314
2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide

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

1514-0314

Molecular Formula

C12H13ClN2O4 (C12 H13 ClN2 O4)

Compound Name

2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide

SMILES

[O-][N+](c(cc1)cc(Cl)c1C(NCC1OCCC1)=O)=O

InChI

InChI=1S/C12H13ClN2O4/c13-11-6-8(15(17)18)3-4-10(11)12(16)14-7-9-2-1-5-19-9/h3-4,6,9H,1-2,5,7H2,(H,14,16)/t9-/m1/s1

InChI Key

NAEWZCAVABKVMB-SECBINFHSA-N

MDL Number (MFCD)

MFCD00686856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.011

Distribution Coefficient, logD

2.011

Water Solubility, LogSw

-3.26

Polar Surface Area

66.688

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

1514-0314 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 1514-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1514-0314?
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What is the minimum amount of 1514-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1514-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1514-0314
  • 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 1514-0314 available by request