C464-0846 Screening compound: 3-methyl-N-[2-(3-methylphenyl)ethyl]-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide

C464-0846 Screening compound: 3-methyl-N-[2-(3-methylphenyl)ethyl]-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide
C464-0846 Screening compound: 3-methyl-N-[2-(3-methylphenyl)ethyl]-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0846
3-methyl-N-[2-(3-methylphenyl)ethyl]-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

C464-0846

Molecular Formula

C25H33N3O4S (C25 H33 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(C(C)C)C(NCCc1cc(C)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C25H33N3O4S/c1-5-23(29)28-14-12-20-16-21(9-10-22(20)28)33(31,32)27-24(17(2)3)25(30)26-13-11-19-8-6-7-18(4)15-19/h6-10,15-17,24,27H,5,11-14H2,1-4H3,(H,26,30)/t24-/m0/s1

InChI Key

XPMBRGWRFAHACY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14760171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.62

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

3.654

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-3.83

Polar Surface Area

81.512

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C464-0846 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C464-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0846?
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What is the minimum amount of C464-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0846
  • 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 C464-0846 available by request