T786-0030 Screening compound: 1-{1-[(5-BROMOFURAN-2-YL)METHYL]PIPERIDIN-4-YL}ETHAN-1-OL

T786-0030 Screening compound: 1-{1-[(5-BROMOFURAN-2-YL)METHYL]PIPERIDIN-4-YL}ETHAN-1-OL
T786-0030 Screening compound: 1-{1-[(5-BROMOFURAN-2-YL)METHYL]PIPERIDIN-4-YL}ETHAN-1-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound T786-0030
1-{1-[(5-BROMOFURAN-2-YL)METHYL]PIPERIDIN-4-YL}ETHAN-1-OL

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

T786-0030

Molecular Formula

C12H18BrNO2 (C12 H18 BrNO2)

Compound Name

1-{1-[(5-BROMOFURAN-2-YL)METHYL]PIPERIDIN-4-YL}ETHAN-1-OL

IUPAC name

n/a

SMILES

CC(C1CCN(Cc(o2)ccc2Br)CC1)O

InChI

InChI=1S/C12H18BrNO2/c1-9(15)10-4-6-14(7-5-10)8-11-2-3-12(13)16-11/h2-3,9-10,15H,4-8H2,1H3/t9-/m0/s1

InChI Key

XOSNBLMPZURDQG-VIFPVBQESA-N

MDL Number (MFCD)

MFCD27623358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.208

Distribution Coefficient, logD

1.845

Water Solubility, LogSw

-2.10

Polar Surface Area

28.078

Acid Dissociation Constant (pKa)

17.27

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

T786-0030 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T786-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T786-0030?
Check Price and Availability of T786-0030, 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 T786-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T786-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T786-0030
  • 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 T786-0030 available by request