E557-3888 Screening compound: 1,3,3-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)cyclohexyl]methyl}-2,3-dihydro-1H-indole-5-sulfonamide

E557-3888 Screening compound: 1,3,3-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)cyclohexyl]methyl}-2,3-dihydro-1H-indole-5-sulfonamide
E557-3888 Screening compound: 1,3,3-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)cyclohexyl]methyl}-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E557-3888
1,3,3-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)cyclohexyl]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

E557-3888

Molecular Formula

C24H35N3O4S (C24 H35 N3 O4 S)

Compound Name

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

IUPAC name

133-trimethyl-2-oxo-N-{[4-(piperidine-1-carbonyl)cyclohexyl]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/C24H35N3O4S/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/h11-12,15,17-18,25H,4-10,13-14,16H2,1-3H3

InChI Key

WKARZEDXYQOHEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.63

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

3.600

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.93

Polar Surface Area

74.343

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

E557-3888 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E557-3888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E557-3888?
Check Price and Availability of E557-3888, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E557-3888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E557-3888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E557-3888
  • 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 E557-3888 available by request