D186-0592 Screening compound: 1-(2-bromoprop-2-en-1-yl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole

D186-0592 Screening compound: 1-(2-bromoprop-2-en-1-yl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole
D186-0592 Screening compound: 1-(2-bromoprop-2-en-1-yl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0592
1-(2-bromoprop-2-en-1-yl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole

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

D186-0592

Molecular Formula

C16H20BrN3 (C16 H20 BrN3)

Compound Name

1-(2-bromoprop-2-en-1-yl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole

IUPAC name

1-(2-bromoprop-2-en-1-yl)-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazole

SMILES

C=C(Cn1c(cccc2)c2nc1CN1CCCCC1)Br

InChI

InChI=1S/C16H20BrN3/c1-13(17)11-20-15-8-4-3-7-14(15)18-16(20)12-19-9-5-2-6-10-19/h3-4,7-8H,1-2,5-6,9-12H2

InChI Key

AYZHOJOJKIOHLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.700

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-3.86

Polar Surface Area

15.147

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D186-0592 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D186-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0592?
Check Price and Availability of D186-0592, 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 D186-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0592
  • 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 D186-0592 available by request