SB91-0234 Screening compound: N-{1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl}-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

SB91-0234 Screening compound: N-{1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl}-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide
SB91-0234 Screening compound: N-{1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl}-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0234
N-{1-[2-(2-fluorophenyl)acetyl]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

SB91-0234

Molecular Formula

C23H32FN3O2 (C23 H32 FN3 O2)

Compound Name

N-{1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl}-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

IUPAC name

N-{1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl}-N-[2-(piperidin-1-yl)ethyl]cyclopropanecarboxamide

SMILES

O=C(Cc(cccc1)c1F)N(CC1)CC1N(CCN1CCCCC1)C(C1CC1)=O

InChI

InChI=1S/C23H32FN3O2/c24-21-7-3-2-6-19(21)16-22(28)26-13-10-20(17-26)27(23(29)18-8-9-18)15-14-25-11-4-1-5-12-25/h2-3,6-7,18,20H,1,4-5,8-17H2/t20-/m1/s1

InChI Key

IIVQRFBRMWKRMP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32250446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

1.366

Water Solubility, LogSw

-2.98

Polar Surface Area

36.135

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SB91-0234 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB91-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0234?
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What is the minimum amount of SB91-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0234
  • 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 SB91-0234 available by request