3824-0071 Screening compound: 4-[2-(2-methylprop-1-en-1-yl)-5-nitro-1-benzofuran-3-yl]morpholine

3824-0071 Screening compound: 4-[2-(2-methylprop-1-en-1-yl)-5-nitro-1-benzofuran-3-yl]morpholine
3824-0071 Screening compound: 4-[2-(2-methylprop-1-en-1-yl)-5-nitro-1-benzofuran-3-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3824-0071
4-[2-(2-methylprop-1-en-1-yl)-5-nitro-1-benzofuran-3-yl]morpholine

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

3824-0071

Molecular Formula

C16H18N2O4 (C16 H18 N2 O4)

Compound Name

4-[2-(2-methylprop-1-en-1-yl)-5-nitro-1-benzofuran-3-yl]morpholine

IUPAC name

4-[2-(2-methylprop-1-en-1-yl)-5-nitro-1-benzofuran-3-yl]morpholine

SMILES

CC(C)=Cc(oc(cc1)c2cc1[N+]([O-])=O)c2N1CCOCC1

InChI

InChI=1S/C16H18N2O4/c1-11(2)9-15-16(17-5-7-21-8-6-17)13-10-12(18(19)20)3-4-14(13)22-15/h3-4,9-10H,5-8H2,1-2H3

InChI Key

DWPKQAVSBMFDJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00405384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-4.00

Polar Surface Area

52.075

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

3824-0071 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 3824-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3824-0071?
Check Price and Availability of 3824-0071, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3824-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3824-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3824-0071
  • 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 3824-0071 available by request