SB94-0195 Screening compound: 1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone

SB94-0195 Screening compound: 1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone
SB94-0195 Screening compound: 1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB94-0195
1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone

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

SB94-0195

Molecular Formula

C22H27ClFN3O3 (C22 H27 ClFN3 O3)

Compound Name

1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone

IUPAC name

1-{[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]methyl}-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

SMILES

O=C(C(C1)CN(CC(CC2)CCN2C(c(cc(cc2)Cl)c2F)=O)C1=O)N1CCCC1

InChI

InChI=1S/C22H27ClFN3O3/c23-17-3-4-19(24)18(12-17)22(30)26-9-5-15(6-10-26)13-27-14-16(11-20(27)28)21(29)25-7-1-2-8-25/h3-4,12,15-16H,1-2,5-11,13-14H2/t16-/m1/s1

InChI Key

JMYWYWPNTUVBEZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32250717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.431

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-3.31

Polar Surface Area

51.097

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SB94-0195 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB94-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB94-0195?
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What is the minimum amount of SB94-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB94-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB94-0195
  • 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 SB94-0195 available by request