L798-0042 Screening compound: 2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-N-cyclopentylacetamide

L798-0042 Screening compound: 2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-N-cyclopentylacetamide
L798-0042 Screening compound: 2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L798-0042
2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-N-cyclopentylacetamide

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

L798-0042

Molecular Formula

C22H31N3O4S (C22 H31 N3 O4 S)

Compound Name

2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-N-cyclopentylacetamide

IUPAC name

2-{1-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-N-cyclopentylacetamide

SMILES

CC(N(CC1)c(cc2)c1cc2S(N1CCC(CC(NC2CCCC2)=O)CC1)(=O)=O)=O

InChI

InChI=1S/C22H31N3O4S/c1-16(26)25-13-10-18-15-20(6-7-21(18)25)30(28,29)24-11-8-17(9-12-24)14-22(27)23-19-4-2-3-5-19/h6-7,15,17,19H,2-5,8-14H2,1H3,(H,23,27)

InChI Key

JEDHCIIKPCXUOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.29

Polar Surface Area

72.659

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

L798-0042 in Drug Discovery

Included in Screening Libraries

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 L798-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L798-0042?
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What is the minimum amount of L798-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L798-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L798-0042
  • 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 L798-0042 available by request