C464-0771 Screening compound: ethyl 4-[3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamido]piperidine-1-carboxylate

C464-0771 Screening compound: ethyl 4-[3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamido]piperidine-1-carboxylate
C464-0771 Screening compound: ethyl 4-[3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0771
ethyl 4-[3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamido]piperidine-1-carboxylate

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

C464-0771

Molecular Formula

C24H36N4O6S (C24 H36 N4 O6 S)

Compound Name

ethyl 4-[3-methyl-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[3-methyl-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)butanamido]piperidine-1-carboxylate

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(C(C)C)C(NC(CC1)CCN1C(OCC)=O)=O)(=O)=O)=O

InChI

InChI=1S/C24H36N4O6S/c1-5-21(29)28-14-9-17-15-19(7-8-20(17)28)35(32,33)26-22(16(3)4)23(30)25-18-10-12-27(13-11-18)24(31)34-6-2/h7-8,15-16,18,22,26H,5-6,9-14H2,1-4H3,(H,25,30)/t22-/m0/s1

InChI Key

NEOIKJJKIXLTJQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14760162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-3.35

Polar Surface Area

104.176

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

C464-0771 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C464-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0771?
Check Price and Availability of C464-0771, 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 C464-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0771
  • 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 C464-0771 available by request