G384-0193 Screening compound: 1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2-carboxamide

G384-0193 Screening compound: 1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2-carboxamide
G384-0193 Screening compound: 1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G384-0193
1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2-carboxamide

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

G384-0193

Molecular Formula

C23H27N3O4S2 (C23 H27 N3 O4 S2)

Compound Name

1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2-carboxamide

IUPAC name

1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)-23-dihydro-1H-indole-2-carboxamide

SMILES

CC(N(C(C1)C(NCc(cc2)ccc2SC)=O)c(cc2)c1cc2S(N1CCCC1)(=O)=O)=O

InChI

InChI=1S/C23H27N3O4S2/c1-16(27)26-21-10-9-20(32(29,30)25-11-3-4-12-25)13-18(21)14-22(26)23(28)24-15-17-5-7-19(31-2)8-6-17/h5-10,13,22H,3-4,11-12,14-15H2,1-2H3,(H,24,28)/t22-/m1/s1

InChI Key

FERCPIXKDINJTG-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15006772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.22

Polar Surface Area

72.495

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G384-0193 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with G384-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G384-0193?
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What is the minimum amount of G384-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G384-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G384-0193
  • 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 G384-0193 available by request