G849-0079 Screening compound: 1-cyclopropanecarbonyl-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-2,3-dihydro-1H-indole-5-sulfonamide

G849-0079 Screening compound: 1-cyclopropanecarbonyl-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-2,3-dihydro-1H-indole-5-sulfonamide
G849-0079 Screening compound: 1-cyclopropanecarbonyl-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G849-0079
1-cyclopropanecarbonyl-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-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

G849-0079

Molecular Formula

C26H29F3N4O4S (C26 H29 F3 N4 O4 S)

Compound Name

1-cyclopropanecarbonyl-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-cyclopropanecarbonyl-N-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-23-dihydro-1H-indole-5-sulfonamide

SMILES

O=C(CCNS(c(cc1)cc(CC2)c1N2C(C1CC1)=O)(=O)=O)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C26H29F3N4O4S/c27-26(28,29)20-2-1-3-21(17-20)31-12-14-32(15-13-31)24(34)8-10-30-38(36,37)22-6-7-23-19(16-22)9-11-33(23)25(35)18-4-5-18/h1-3,6-7,16-18,30H,4-5,8-15H2

InChI Key

ZUYKTESIGINRJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.84

Polar Surface Area

77.693

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

G849-0079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G849-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G849-0079?
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What is the minimum amount of G849-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G849-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G849-0079
  • 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 G849-0079 available by request