SB99-0121 Screening compound: 3-[5-(4-isopropoxybenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone

SB99-0121 Screening compound: 3-[5-(4-isopropoxybenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone
SB99-0121 Screening compound: 3-[5-(4-isopropoxybenzyl)-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 SB99-0121
3-[5-(4-isopropoxybenzyl)-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

SB99-0121

Molecular Formula

C25H36N4O2 (C25 H36 N4 O2)

Compound Name

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

IUPAC name

3-(1-methyl-5-{[4-(propan-2-yloxy)phenyl]methyl}-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl)-1-(piperidin-1-yl)propan-1-one

SMILES

CC(C)Oc1ccc(CN(CC2)Cc3c2n(C)nc3CCC(N2CCCCC2)=O)cc1

InChI

InChI=1S/C25H36N4O2/c1-19(2)31-21-9-7-20(8-10-21)17-28-16-13-24-22(18-28)23(26-27(24)3)11-12-25(30)29-14-5-4-6-15-29/h7-10,19H,4-6,11-18H2,1-3H3

InChI Key

AXSNUGRFVRYWMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32251300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.801

Distribution Coefficient, logD

-1.490

Water Solubility, LogSw

-2.98

Polar Surface Area

42.069

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

11.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

SB99-0121 in Drug Discovery

Included in Screening Libraries

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

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 SB99-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB99-0121?
Check Price and Availability of SB99-0121, 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 SB99-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB99-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB99-0121
  • 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 SB99-0121 available by request