C464-1061 Screening compound: N-(2-methoxy-5-methylphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

C464-1061 Screening compound: N-(2-methoxy-5-methylphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide
C464-1061 Screening compound: N-(2-methoxy-5-methylphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-1061
N-(2-methoxy-5-methylphenyl)-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

C464-1061

Molecular Formula

C25H33N3O5S (C25 H33 N3 O5 S)

Compound Name

N-(2-methoxy-5-methylphenyl)-4-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-4-methyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)pentanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(CC(C)C)C(Nc(cc(C)cc1)c1OC)=O)(=O)=O)=O

InChI

InChI=1S/C25H33N3O5S/c1-6-24(29)28-12-11-18-15-19(8-9-22(18)28)34(31,32)27-21(13-16(2)3)25(30)26-20-14-17(4)7-10-23(20)33-5/h7-10,14-16,21,27H,6,11-13H2,1-5H3,(H,26,30)/t21-/m0/s1

InChI Key

LUURWVPSSINFHZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14760218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-4.20

Polar Surface Area

87.559

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C464-1061 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

SH2 Library (10483 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:
  • 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 C464-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-1061?
Check Price and Availability of C464-1061, 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 C464-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-1061
  • 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 C464-1061 available by request