SB91-0227 Screening compound: N-(2-fluorophenyl)-3-{N-[2-(piperidin-1-yl)ethyl]cyclopropaneamido}pyrrolidine-1-carboxamide

SB91-0227 Screening compound: N-(2-fluorophenyl)-3-{N-[2-(piperidin-1-yl)ethyl]cyclopropaneamido}pyrrolidine-1-carboxamide
SB91-0227 Screening compound: N-(2-fluorophenyl)-3-{N-[2-(piperidin-1-yl)ethyl]cyclopropaneamido}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0227
N-(2-fluorophenyl)-3-{N-[2-(piperidin-1-yl)ethyl]cyclopropaneamido}pyrrolidine-1-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

SB91-0227

Molecular Formula

C22H31FN4O2 (C22 H31 FN4 O2)

Compound Name

N-(2-fluorophenyl)-3-{N-[2-(piperidin-1-yl)ethyl]cyclopropaneamido}pyrrolidine-1-carboxamide

IUPAC name

N-(2-fluorophenyl)-3-{N-[2-(piperidin-1-yl)ethyl]cyclopropaneamido}pyrrolidine-1-carboxamide

SMILES

O=C(C1CC1)N(CCN1CCCCC1)C(CC1)CN1C(Nc(cccc1)c1F)=O

InChI

InChI=1S/C22H31FN4O2/c23-19-6-2-3-7-20(19)24-22(29)26-13-10-18(16-26)27(21(28)17-8-9-17)15-14-25-11-4-1-5-12-25/h2-3,6-7,17-18H,1,4-5,8-16H2,(H,24,29)/t18-/m1/s1

InChI Key

JSHUZEDRXGQWED-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32250445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

1.396

Water Solubility, LogSw

-3.18

Polar Surface Area

44.785

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

SB91-0227 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with SB91-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0227?
Check Price and Availability of SB91-0227, 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 SB91-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0227
  • 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 SB91-0227 available by request