SB91-0478 Screening compound: N-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

SB91-0478 Screening compound: N-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide
SB91-0478 Screening compound: N-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0478
N-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

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

SB91-0478

Molecular Formula

C17H29N5O4S (C17 H29 N5 O4 S)

Compound Name

N-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

IUPAC name

N-[1-(15-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

SMILES

Cc1cc(C(N(CC2)CC2N(CCN2CCOCC2)S(C)(=O)=O)=O)nn1C

InChI

InChI=1S/C17H29N5O4S/c1-14-12-16(18-19(14)2)17(23)21-5-4-15(13-21)22(27(3,24)25)7-6-20-8-10-26-11-9-20/h12,15H,4-11,13H2,1-3H3/t15-/m0/s1

InChI Key

WOKPIGBNLQEZEX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32250378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.838

Distribution Coefficient, logD

-0.838

Water Solubility, LogSw

-1.33

Polar Surface Area

74.501

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

SB91-0478 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Arginase Targeted Library (2009 compounds)

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

CNS MPO Library (28609 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
Targets:
  • Others

References: we are preparing a list of scientific research reports with SB91-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0478?
Check Price and Availability of SB91-0478, 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 SB91-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0478
  • 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 SB91-0478 available by request