2187-0804 Screening compound: 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(piperidin-1-yl)propan-1-one

2187-0804 Screening compound: 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(piperidin-1-yl)propan-1-one
2187-0804 Screening compound: 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(piperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-0804
1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(piperidin-1-yl)propan-1-one

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

2187-0804

Molecular Formula

C23H25Br2N3O (C23 H25 Br2 N3 O)

Compound Name

1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-(piperidin-1-yl)propan-1-one

IUPAC name

1-[35-bis(4-bromophenyl)-45-dihydro-1H-pyrazol-1-yl]-3-(piperidin-1-yl)propan-1-one

SMILES

O=C(CCN1CCCCC1)N(C(C1)c(cc2)ccc2Br)N=C1c(cc1)ccc1Br

InChI

InChI=1S/C23H25Br2N3O/c24-19-8-4-17(5-9-19)21-16-22(18-6-10-20(25)11-7-18)28(26-21)23(29)12-15-27-13-2-1-3-14-27/h4-11,22H,1-3,12-16H2/t22-/m1/s1

InChI Key

CRVILOUWJYKQCE-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01931389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.951

Distribution Coefficient, logD

3.451

Water Solubility, LogSw

-5.86

Polar Surface Area

30.570

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

2187-0804 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 2187-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-0804?
Check Price and Availability of 2187-0804, 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 2187-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-0804
  • 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 2187-0804 available by request