C464-0959 Screening compound: N-[3-methyl-1-(1-pyrrolidinylcarbonyl)butyl]-1-propionyl-5-indolinesulfonamide

C464-0959 Screening compound: N-[3-methyl-1-(1-pyrrolidinylcarbonyl)butyl]-1-propionyl-5-indolinesulfonamide
C464-0959 Screening compound: N-[3-methyl-1-(1-pyrrolidinylcarbonyl)butyl]-1-propionyl-5-indolinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0959
N-[3-methyl-1-(1-pyrrolidinylcarbonyl)butyl]-1-propionyl-5-indolinesulfonamide

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

C464-0959

Molecular Formula

C21H31N3O4S (C21 H31 N3 O4 S)

Compound Name

N-[3-methyl-1-(1-pyrrolidinylcarbonyl)butyl]-1-propionyl-5-indolinesulfonamide

IUPAC name

N-[4-methyl-1-oxo-1-(pyrrolidin-1-yl)pentan-2-yl]-1-propanoyl-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(CC(C)C)C(N1CCCC1)=O)(=O)=O)=O

InChI

InChI=1S/C21H31N3O4S/c1-4-20(25)24-12-9-16-14-17(7-8-19(16)24)29(27,28)22-18(13-15(2)3)21(26)23-10-5-6-11-23/h7-8,14-15,18,22H,4-6,9-13H2,1-3H3/t18-/m0/s1

InChI Key

RVBODXYPJFVPNW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14760197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.70

Polar Surface Area

74.549

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

C464-0959 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C464-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0959?
Check Price and Availability of C464-0959, 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 C464-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0959
  • 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 C464-0959 available by request