SB94-0307 Screening compound: 1-({1-[(5-methyl-2-furyl)methyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone

SB94-0307 Screening compound: 1-({1-[(5-methyl-2-furyl)methyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone
SB94-0307 Screening compound: 1-({1-[(5-methyl-2-furyl)methyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB94-0307
1-({1-[(5-methyl-2-furyl)methyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-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

SB94-0307

Molecular Formula

C21H31N3O4 (C21 H31 N3 O4)

Compound Name

1-({1-[(5-methyl-2-furyl)methyl]-4-piperidyl}methyl)-4-(morpholinocarbonyl)-2-pyrrolidinone

IUPAC name

1-({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one

SMILES

Cc1ccc(CN2CCC(CN(CC(C3)C(N4CCOCC4)=O)C3=O)CC2)o1

InChI

InChI=1S/C21H31N3O4/c1-16-2-3-19(28-16)15-22-6-4-17(5-7-22)13-24-14-18(12-20(24)25)21(26)23-8-10-27-11-9-23/h2-3,17-18H,4-15H2,1H3/t18-/m1/s1

InChI Key

DOKJSUNRDDZKSH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32249956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.913

Distribution Coefficient, logD

-1.545

Water Solubility, LogSw

-1.63

Polar Surface Area

52.986

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SB94-0307 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB94-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB94-0307?
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What is the minimum amount of SB94-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB94-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB94-0307
  • 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 SB94-0307 available by request