C464-1112 Screening compound: N-[(4-chlorophenyl)methyl]-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

C464-1112 Screening compound: N-[(4-chlorophenyl)methyl]-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide
C464-1112 Screening compound: N-[(4-chlorophenyl)methyl]-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-1112
N-[(4-chlorophenyl)methyl]-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

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

C464-1112

Molecular Formula

C24H30ClN3O4S (C24 H30 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H30ClN3O4S/c1-4-23(29)28-12-11-18-14-20(9-10-22(18)28)33(31,32)27-21(13-16(2)3)24(30)26-15-17-5-7-19(25)8-6-17/h5-10,14,16,21,27H,4,11-13,15H2,1-3H3,(H,26,30)/t21-/m0/s1

InChI Key

SXGYCXZBAXKIEF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14760223

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

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.37

Polar Surface Area

81.948

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C464-1112 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

SH2 Library (10483 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C464-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-1112?
Check Price and Availability of C464-1112, 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 C464-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-1112
  • 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 C464-1112 available by request