C361-1154 Screening compound: 1-(cyclobutylcarbonyl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]-5-indolinesulfonamide

C361-1154 Screening compound: 1-(cyclobutylcarbonyl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]-5-indolinesulfonamide
C361-1154 Screening compound: 1-(cyclobutylcarbonyl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]-5-indolinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1154
1-(cyclobutylcarbonyl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]-5-indolinesulfonamide

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

C361-1154

Molecular Formula

C22H23F3N2O3S (C22 H23 F3 N2 O3 S)

Compound Name

1-(cyclobutylcarbonyl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]-5-indolinesulfonamide

IUPAC name

1-cyclobutanecarbonyl-N-ethyl-N-[3-(trifluoromethyl)phenyl]-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCN(c1cc(C(F)(F)F)ccc1)S(c(cc1)cc(CC2)c1N2C(C1CCC1)=O)(=O)=O

InChI

InChI=1S/C22H23F3N2O3S/c1-2-27(18-8-4-7-17(14-18)22(23,24)25)31(29,30)19-9-10-20-16(13-19)11-12-26(20)21(28)15-5-3-6-15/h4,7-10,13-15H,2-3,5-6,11-12H2,1H3

InChI Key

XMPFFYKSNLSVNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.30

Polar Surface Area

47.991

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

C361-1154 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C361-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1154?
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What is the minimum amount of C361-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1154
  • 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 C361-1154 available by request