SB91-0109 Screening compound: 1-methyl-N-(2-morpholinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-1H-pyrrole-2-carboxamide

SB91-0109 Screening compound: 1-methyl-N-(2-morpholinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-1H-pyrrole-2-carboxamide
SB91-0109 Screening compound: 1-methyl-N-(2-morpholinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0109
1-methyl-N-(2-morpholinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-1H-pyrrole-2-carboxamide

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

SB91-0109

Molecular Formula

C16H26N4O2 (C16 H26 N4 O2)

Compound Name

1-methyl-N-(2-morpholinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-1H-pyrrole-2-carboxamide

IUPAC name

1-methyl-N-[2-(morpholin-4-yl)ethyl]-N-(pyrrolidin-3-yl)-1H-pyrrole-2-carboxamide

SMILES

Cn1c(C(N(CCN2CCOCC2)C2CNCC2)=O)ccc1

InChI

InChI=1S/C16H26N4O2/c1-18-6-2-3-15(18)16(21)20(14-4-5-17-13-14)8-7-19-9-11-22-12-10-19/h2-3,6,14,17H,4-5,7-13H2,1H3/t14-/m0/s1

InChI Key

IHXHMXKXVHPTTH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32250147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.482

Distribution Coefficient, logD

-1.789

Water Solubility, LogSw

-1.56

Polar Surface Area

41.967

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

SB91-0109 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB91-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0109?
Check Price and Availability of SB91-0109, 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 SB91-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0109
  • 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 SB91-0109 available by request