SB91-0391 Screening compound: N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

SB91-0391 Screening compound: N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide
SB91-0391 Screening compound: N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0391
N-[1-(5-chloro-2-methoxybenzoyl)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

SB91-0391

Molecular Formula

C19H28ClN3O5S (C19 H28 ClN3 O5 S)

Compound Name

N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

IUPAC name

N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]methanesulfonamide

SMILES

COc(ccc(Cl)c1)c1C(N(CC1)CC1N(CCN1CCOCC1)S(C)(=O)=O)=O

InChI

InChI=1S/C19H28ClN3O5S/c1-27-18-4-3-15(20)13-17(18)19(24)22-6-5-16(14-22)23(29(2,25)26)8-7-21-9-11-28-12-10-21/h3-4,13,16H,5-12,14H2,1-2H3/t16-/m1/s1

InChI Key

YDLCZYLKZJGTEX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32249913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.97

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

1.000

Distribution Coefficient, logD

0.999

Water Solubility, LogSw

-2.74

Polar Surface Area

67.645

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SB91-0391 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

CNS Targets (44014 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 SB91-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0391?
Check Price and Availability of SB91-0391, 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 SB91-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0391
  • 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 SB91-0391 available by request