D012-0391 Screening compound: 3-(2,6-dimethylphenyl)-1-(2,6-dimethylpiperidin-1-yl)urea

D012-0391 Screening compound: 3-(2,6-dimethylphenyl)-1-(2,6-dimethylpiperidin-1-yl)urea
D012-0391 Screening compound: 3-(2,6-dimethylphenyl)-1-(2,6-dimethylpiperidin-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0391
3-(2,6-dimethylphenyl)-1-(2,6-dimethylpiperidin-1-yl)urea

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

D012-0391

Molecular Formula

C16H25N3O (C16 H25 N3 O)

Compound Name

3-(2,6-dimethylphenyl)-1-(2,6-dimethylpiperidin-1-yl)urea

IUPAC name

3-(26-dimethylphenyl)-1-(26-dimethylpiperidin-1-yl)urea

SMILES

CC(CCCC1C)N1NC(Nc1c(C)cccc1C)=O

InChI

InChI=1S/C16H25N3O/c1-11-7-5-8-12(2)15(11)17-16(20)18-19-13(3)9-6-10-14(19)4/h5,7-8,13-14H,6,9-10H2,1-4H3,(H2,17,18,20)

InChI Key

QXZHPVDFXIXSCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-2.98

Polar Surface Area

36.744

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

D012-0391 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with D012-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0391?
Check Price and Availability of D012-0391, 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 D012-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0391
  • 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 D012-0391 available by request