C464-0653 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

C464-0653 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide
C464-0653 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0653
N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

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

C464-0653

Molecular Formula

C24H30ClN3O4S (C24 H30 ClN3 O4 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)butanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(C(C)C)C(NCCc(cc1)ccc1Cl)=O)(=O)=O)=O

InChI

InChI=1S/C24H30ClN3O4S/c1-4-22(29)28-14-12-18-15-20(9-10-21(18)28)33(31,32)27-23(16(2)3)24(30)26-13-11-17-5-7-19(25)8-6-17/h5-10,15-16,23,27H,4,11-14H2,1-3H3,(H,26,30)/t23-/m0/s1

InChI Key

XBBHDLVLGYUHJR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14760133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-4.08

Polar Surface Area

81.512

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C464-0653 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C464-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0653?
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What is the minimum amount of C464-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0653
  • 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 C464-0653 available by request