E589-3238 Screening compound: 1,3,3-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}-2,3-dihydro-1H-indole-5-sulfonamide

E589-3238 Screening compound: 1,3,3-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}-2,3-dihydro-1H-indole-5-sulfonamide
E589-3238 Screening compound: 1,3,3-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-3238
1,3,3-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}-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

E589-3238

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

1,3,3-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

133-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(C)(c(cc(cc1)S(NCc(cc2)ccc2C(N2CCCCC2)=O)(=O)=O)c1N1C)C1=O

InChI

InChI=1S/C24H29N3O4S/c1-24(2)20-15-19(11-12-21(20)26(3)23(24)29)32(30,31)25-16-17-7-9-18(10-8-17)22(28)27-13-5-4-6-14-27/h7-12,15,25H,4-6,13-14,16H2,1-3H3

InChI Key

OETYXBWUGUTBTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.52

Polar Surface Area

74.151

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

E589-3238 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 E589-3238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-3238?
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What is the minimum amount of E589-3238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-3238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-3238
  • 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 E589-3238 available by request