5821-0175 Screening compound: 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-bromobenzoate

5821-0175 Screening compound: 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-bromobenzoate
5821-0175 Screening compound: 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5821-0175
1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-bromobenzoate

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

5821-0175

Molecular Formula

C17H24BrNO2 (C17 H24 BrNO2)

Compound Name

1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-bromobenzoate

IUPAC name

1-(26-dimethylpiperidin-1-yl)propan-2-yl 4-bromobenzoate

SMILES

CC(CN1C(C)CCCC1C)OC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C17H24BrNO2/c1-12-5-4-6-13(2)19(12)11-14(3)21-17(20)15-7-9-16(18)10-8-15/h7-10,12-14H,4-6,11H2,1-3H3

InChI Key

JPIQNXLYUCFYCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828184

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

354.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-4.37

Polar Surface Area

22.842

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.80

5821-0175 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5821-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5821-0175?
Check Price and Availability of 5821-0175, 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 5821-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5821-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5821-0175
  • 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 5821-0175 available by request