SB99-0027 Screening compound: 3-[5-(3-chlorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone

SB99-0027 Screening compound: 3-[5-(3-chlorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone
SB99-0027 Screening compound: 3-[5-(3-chlorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB99-0027
3-[5-(3-chlorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone

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

SB99-0027

Molecular Formula

C22H29ClN4O (C22 H29 ClN4 O)

Compound Name

3-[5-(3-chlorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone

IUPAC name

3-{5-[(3-chlorophenyl)methyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}-1-(piperidin-1-yl)propan-1-one

SMILES

Cn1nc(CCC(N2CCCCC2)=O)c2c1CCN(Cc1cccc(Cl)c1)C2

InChI

InChI=1S/C22H29ClN4O/c1-25-21-10-13-26(15-17-6-5-7-18(23)14-17)16-19(21)20(24-25)8-9-22(28)27-11-3-2-4-12-27/h5-7,14H,2-4,8-13,15-16H2,1H3

InChI Key

ZNCIQJZDWDWACA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32252260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

-1.392

Water Solubility, LogSw

-3.34

Polar Surface Area

35.267

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

11.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

SB99-0027 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB99-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB99-0027?
Check Price and Availability of SB99-0027, 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 SB99-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB99-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB99-0027
  • 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 SB99-0027 available by request