SB99-0042 Screening compound: 3-[1-methyl-5-(2-quinolylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone

SB99-0042 Screening compound: 3-[1-methyl-5-(2-quinolylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone
SB99-0042 Screening compound: 3-[1-methyl-5-(2-quinolylcarbonyl)-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 SB99-0042
3-[1-methyl-5-(2-quinolylcarbonyl)-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

SB99-0042

Molecular Formula

C25H29N5O2 (C25 H29 N5 O2)

Compound Name

3-[1-methyl-5-(2-quinolylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-piperidino-1-propanone

IUPAC name

3-[1-methyl-5-(quinoline-2-carbonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-1-(piperidin-1-yl)propan-1-one

SMILES

Cn1nc(CCC(N2CCCCC2)=O)c(C2)c1CCN2C(c1nc2ccccc2cc1)=O

InChI

InChI=1S/C25H29N5O2/c1-28-23-13-16-30(25(32)22-10-9-18-7-3-4-8-20(18)26-22)17-19(23)21(27-28)11-12-24(31)29-14-5-2-6-15-29/h3-4,7-10H,2,5-6,11-17H2,1H3

InChI Key

UTVMXWIJTUMBSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32252494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

2.155

Water Solubility, LogSw

-2.63

Polar Surface Area

56.513

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

SB99-0042 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB99-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB99-0042?
Check Price and Availability of SB99-0042, 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 SB99-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB99-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB99-0042
  • 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 SB99-0042 available by request