E198-0186 Screening compound: 1,3,3-trimethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-indole-5-sulfonamide

E198-0186 Screening compound: 1,3,3-trimethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-indole-5-sulfonamide
E198-0186 Screening compound: 1,3,3-trimethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E198-0186
1,3,3-trimethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-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

E198-0186

Molecular Formula

C18H17F3N2O4S (C18 H17 F3 N2 O4 S)

Compound Name

1,3,3-trimethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

133-trimethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(C)(c(cc(cc1)S(Nc(cc2)ccc2OC(F)(F)F)(=O)=O)c1N1C)C1=O

InChI

InChI=1S/C18H17F3N2O4S/c1-17(2)14-10-13(8-9-15(14)23(3)16(17)24)28(25,26)22-11-4-6-12(7-5-11)27-18(19,20)21/h4-10,22H,1-3H3

InChI Key

HPNUQEMOGOMLNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.36

Polar Surface Area

62.331

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E198-0186 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E198-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E198-0186?
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What is the minimum amount of E198-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E198-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E198-0186
  • 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 E198-0186 available by request