0413-0219 Screening compound: 1,2,4-trimethyl-8-nitro-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine

0413-0219 Screening compound: 1,2,4-trimethyl-8-nitro-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine
0413-0219 Screening compound: 1,2,4-trimethyl-8-nitro-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0413-0219
1,2,4-trimethyl-8-nitro-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine

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

0413-0219

Molecular Formula

C14H16N2O3 (C14 H16 N2 O3)

Compound Name

1,2,4-trimethyl-8-nitro-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine

IUPAC name

346-trimethyl-12-nitro-8-oxa-4-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraene

SMILES

CC(CN(C)C1C)c2c1c(cc(cc1)[N+]([O-])=O)c1o2

InChI

InChI=1S/C14H16N2O3/c1-8-7-15(3)9(2)13-11-6-10(16(17)18)4-5-12(11)19-14(8)13/h4-6,8-9H,7H2,1-3H3

InChI Key

HAPQZJBJBJVMIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-3.31

Polar Surface Area

44.423

Acid Dissociation Constant (pKa)

27.03

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

0413-0219 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0413-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 0413-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0413-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0413-0219
  • 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 0413-0219 available by request