3807-2380 Screening compound: 2,6-bis(4-methoxyphenyl)-4,4-dimethyl-3,5-dinitropiperidine

3807-2380 Screening compound: 2,6-bis(4-methoxyphenyl)-4,4-dimethyl-3,5-dinitropiperidine
3807-2380 Screening compound: 2,6-bis(4-methoxyphenyl)-4,4-dimethyl-3,5-dinitropiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-2380
2,6-bis(4-methoxyphenyl)-4,4-dimethyl-3,5-dinitropiperidine

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

3807-2380

Molecular Formula

C21H25N3O6 (C21 H25 N3 O6)

Compound Name

2,6-bis(4-methoxyphenyl)-4,4-dimethyl-3,5-dinitropiperidine

IUPAC name

26-bis(4-methoxyphenyl)-44-dimethyl-35-dinitropiperidine

SMILES

CC(C)(C(C(c(cc1)ccc1OC)NC1c(cc2)ccc2OC)[N+]([O-])=O)C1[N+]([O-])=O

InChI

InChI=1S/C21H25N3O6/c1-21(2)19(23(25)26)17(13-5-9-15(29-3)10-6-13)22-18(20(21)24(27)28)14-7-11-16(30-4)12-8-14/h5-12,17-20,22H,1-4H3

InChI Key

PHVJOZFYTCDHBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01552425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.629

Water Solubility, LogSw

-3.89

Polar Surface Area

91.741

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.90

3807-2380 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 3807-2380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-2380?
Check Price and Availability of 3807-2380, 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 3807-2380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-2380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-2380
  • 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 3807-2380 available by request