L503-0458 Screening compound: N-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide

L503-0458 Screening compound: N-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
L503-0458 Screening compound: N-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L503-0458
N-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide

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

L503-0458

Molecular Formula

C24H31N3O4S (C24 H31 N3 O4 S)

Compound Name

N-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-33-dimethyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC1(C)c(cc(cc2)S(NCc(cc3)ccc3OC)(=O)=O)c2N(CC(N2CCCC2)=O)C1

InChI

InChI=1S/C24H31N3O4S/c1-24(2)17-27(16-23(28)26-12-4-5-13-26)22-11-10-20(14-21(22)24)32(29,30)25-15-18-6-8-19(31-3)9-7-18/h6-11,14,25H,4-5,12-13,15-17H2,1-3H3

InChI Key

NVCFKMCMRPLZDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15128944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-4.04

Polar Surface Area

69.161

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

L503-0458 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 L503-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L503-0458?
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What is the minimum amount of L503-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L503-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L503-0458
  • 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 L503-0458 available by request