SB91-0003 Screening compound: 2-bromo-5-methoxy-N-[2-(morpholin-4-yl)ethyl]-N-(pyrrolidin-3-yl)benzamide

SB91-0003 Screening compound: 2-bromo-5-methoxy-N-[2-(morpholin-4-yl)ethyl]-N-(pyrrolidin-3-yl)benzamide
SB91-0003 Screening compound: 2-bromo-5-methoxy-N-[2-(morpholin-4-yl)ethyl]-N-(pyrrolidin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0003
2-bromo-5-methoxy-N-[2-(morpholin-4-yl)ethyl]-N-(pyrrolidin-3-yl)benzamide

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

SB91-0003

Molecular Formula

C18H26BrN3O3 (C18 H26 BrN3 O3)

Compound Name

2-bromo-5-methoxy-N-[2-(morpholin-4-yl)ethyl]-N-(pyrrolidin-3-yl)benzamide

IUPAC name

2-bromo-5-methoxy-N-[2-(morpholin-4-yl)ethyl]-N-(pyrrolidin-3-yl)benzamide

SMILES

COc(cc1)cc(C(N(CCN2CCOCC2)C2CNCC2)=O)c1Br

InChI

InChI=1S/C18H26BrN3O3/c1-24-15-2-3-17(19)16(12-15)18(23)22(14-4-5-20-13-14)7-6-21-8-10-25-11-9-21/h2-3,12,14,20H,4-11,13H2,1H3/t14-/m0/s1

InChI Key

ULNGBSIYEOYOTN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32249825

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

412.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.304

Distribution Coefficient, logD

-0.635

Water Solubility, LogSw

-2.19

Polar Surface Area

47.094

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SB91-0003 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB91-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0003?
Check Price and Availability of SB91-0003, 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 SB91-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0003
  • 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 SB91-0003 available by request