SB95-0482 Screening compound: N-(2-piperidinoethyl)-N-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}acetamide

SB95-0482 Screening compound: N-(2-piperidinoethyl)-N-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}acetamide
SB95-0482 Screening compound: N-(2-piperidinoethyl)-N-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB95-0482
N-(2-piperidinoethyl)-N-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}acetamide

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

SB95-0482

Molecular Formula

C21H37N5O (C21 H37 N5 O)

Compound Name

N-(2-piperidinoethyl)-N-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidyl}acetamide

IUPAC name

N-[2-(piperidin-1-yl)ethyl]-N-{1-[(135-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}acetamide

SMILES

CC(N(CCN1CCCCC1)C1CN(Cc2c(C)n(C)nc2C)CCC1)=O

InChI

InChI=1S/C21H37N5O/c1-17-21(18(2)23(4)22-17)16-25-12-8-9-20(15-25)26(19(3)27)14-13-24-10-6-5-7-11-24/h20H,5-16H2,1-4H3/t20-/m0/s1

InChI Key

XRELFOVBJUEGCS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32251512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.680

Distribution Coefficient, logD

-2.613

Water Solubility, LogSw

-0.36

Polar Surface Area

38.436

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.95

SB95-0482 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 SB95-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB95-0482?
Check Price and Availability of SB95-0482, 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 SB95-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB95-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB95-0482
  • 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 SB95-0482 available by request