C361-1002 Screening compound: 5-[(4-benzylpiperidin-1-yl)sulfonyl]-1-cyclobutanecarbonyl-2,3-dihydro-1H-indole

C361-1002 Screening compound: 5-[(4-benzylpiperidin-1-yl)sulfonyl]-1-cyclobutanecarbonyl-2,3-dihydro-1H-indole
C361-1002 Screening compound: 5-[(4-benzylpiperidin-1-yl)sulfonyl]-1-cyclobutanecarbonyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1002
5-[(4-benzylpiperidin-1-yl)sulfonyl]-1-cyclobutanecarbonyl-2,3-dihydro-1H-indole

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

C361-1002

Molecular Formula

C25H30N2O3S (C25 H30 N2 O3 S)

Compound Name

5-[(4-benzylpiperidin-1-yl)sulfonyl]-1-cyclobutanecarbonyl-2,3-dihydro-1H-indole

IUPAC name

5-[(4-benzylpiperidin-1-yl)sulfonyl]-1-cyclobutanecarbonyl-23-dihydro-1H-indole

SMILES

O=C(C1CCC1)N(CC1)c(cc2)c1cc2S(N1CCC(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C25H30N2O3S/c28-25(21-7-4-8-21)27-16-13-22-18-23(9-10-24(22)27)31(29,30)26-14-11-20(12-15-26)17-19-5-2-1-3-6-19/h1-3,5-6,9-10,18,20-21H,4,7-8,11-17H2

InChI Key

FIEYPHCFXNTMBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.45

Polar Surface Area

47.880

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C361-1002 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C361-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1002?
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What is the minimum amount of C361-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1002
  • 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 C361-1002 available by request