SB91-0395 Screening compound: N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

SB91-0395 Screening compound: N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide
SB91-0395 Screening compound: N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0395
N-[1-(4-methoxy-2-methylbenzoyl)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

SB91-0395

Molecular Formula

C20H31N3O5S (C20 H31 N3 O5 S)

Compound Name

N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

IUPAC name

N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

SMILES

Cc(cc(cc1)OC)c1C(N(CC1)CC1N(CCN1CCOCC1)S(C)(=O)=O)=O

InChI

InChI=1S/C20H31N3O5S/c1-16-14-18(27-2)4-5-19(16)20(24)22-7-6-17(15-22)23(29(3,25)26)9-8-21-10-12-28-13-11-21/h4-5,14,17H,6-13,15H2,1-3H3/t17-/m0/s1

InChI Key

IAROTGLCKJXIHS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32249915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.916

Distribution Coefficient, logD

0.915

Water Solubility, LogSw

-2.36

Polar Surface Area

67.558

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SB91-0395 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB91-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0395?
Check Price and Availability of SB91-0395, 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 SB91-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0395
  • 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 SB91-0395 available by request