SB91-0235 Screening compound: N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

SB91-0235 Screening compound: N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide
SB91-0235 Screening compound: N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0235
N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

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

SB91-0235

Molecular Formula

C23H32ClN3O3 (C23 H32 ClN3 O3)

Compound Name

N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

IUPAC name

N-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

SMILES

COc(ccc(Cl)c1)c1C(N(CC1)CC1N(CCN1CCCCC1)C(C1CC1)=O)=O

InChI

InChI=1S/C23H32ClN3O3/c1-30-21-8-7-18(24)15-20(21)23(29)26-12-9-19(16-26)27(22(28)17-5-6-17)14-13-25-10-3-2-4-11-25/h7-8,15,17,19H,2-6,9-14,16H2,1H3/t19-/m1/s1

InChI Key

BYCHJNXPIAIFGB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32250447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.004

Distribution Coefficient, logD

1.477

Water Solubility, LogSw

-3.37

Polar Surface Area

44.293

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SB91-0235 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB91-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0235?
Check Price and Availability of SB91-0235, 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 SB91-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0235
  • 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 SB91-0235 available by request