G384-0390 Screening compound: 1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indole-2-carboxamide

G384-0390 Screening compound: 1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indole-2-carboxamide
G384-0390 Screening compound: 1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G384-0390
1-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-5-(piperidine-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

G384-0390

Molecular Formula

C24H29N3O4S2 (C24 H29 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C(C1)C(NCc(cc2)ccc2SC)=O)c(cc2)c1cc2S(N1CCCCC1)(=O)=O)=O

InChI

InChI=1S/C24H29N3O4S2/c1-17(28)27-22-11-10-21(33(30,31)26-12-4-3-5-13-26)14-19(22)15-23(27)24(29)25-16-18-6-8-20(32-2)9-7-18/h6-11,14,23H,3-5,12-13,15-16H2,1-2H3,(H,25,29)/t23-/m1/s1

InChI Key

IYBSHHORKOCFKZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD15006895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.64

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

2.990

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-3.54

Polar Surface Area

72.129

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

G384-0390 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 G384-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G384-0390?
Check Price and Availability of G384-0390, 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 G384-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G384-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G384-0390
  • 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 G384-0390 available by request