SB99-0049 Screening compound: 3-{5-[(3-fluorophenyl)sulfonyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-1-piperidino-1-propanone

SB99-0049 Screening compound: 3-{5-[(3-fluorophenyl)sulfonyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-1-piperidino-1-propanone
SB99-0049 Screening compound: 3-{5-[(3-fluorophenyl)sulfonyl]-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 SB99-0049
3-{5-[(3-fluorophenyl)sulfonyl]-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

SB99-0049

Molecular Formula

C21H27FN4O3S (C21 H27 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1nc(CCC(N2CCCCC2)=O)c(C2)c1CCN2S(c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C21H27FN4O3S/c1-24-20-10-13-26(30(28,29)17-7-5-6-16(22)14-17)15-18(20)19(23-24)8-9-21(27)25-11-3-2-4-12-25/h5-7,14H,2-4,8-13,15H2,1H3

InChI Key

OKOXAVWSMZXJKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32252612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.938

Water Solubility, LogSw

-2.61

Polar Surface Area

63.245

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with SB99-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB99-0049?
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What is the minimum amount of SB99-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB99-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB99-0049
  • 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 SB99-0049 available by request