L295-0455 Screening compound: 1-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}-2,3-dihydro-1H-indole

L295-0455 Screening compound: 1-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}-2,3-dihydro-1H-indole
L295-0455 Screening compound: 1-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound L295-0455
1-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}-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

L295-0455

Molecular Formula

C25H28N2O4S (C25 H28 N2 O4 S)

Compound Name

1-{[3,5,6-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}-2,3-dihydro-1H-indole

IUPAC name

1-{[356-trimethyl-2-(piperidine-1-carbonyl)-1-benzofuran-7-yl]sulfonyl}-23-dihydro-1H-indole

SMILES

Cc1c(C(N2CCCCC2)=O)oc2c1cc(C)c(C)c2S(N(CC1)c2c1cccc2)(=O)=O

InChI

InChI=1S/C25H28N2O4S/c1-16-15-20-18(3)22(25(28)26-12-7-4-8-13-26)31-23(20)24(17(16)2)32(29,30)27-14-11-19-9-5-6-10-21(19)27/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3

InChI Key

SDPYQKMDUSUJLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27242036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

4.791

Water Solubility, LogSw

-4.52

Polar Surface Area

57.164

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L295-0455 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 L295-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L295-0455?
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What is the minimum amount of L295-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L295-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L295-0455
  • 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 L295-0455 available by request