C361-1586 Screening compound: N-[(3-methoxyphenyl)methyl]-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

C361-1586 Screening compound: N-[(3-methoxyphenyl)methyl]-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide
C361-1586 Screening compound: N-[(3-methoxyphenyl)methyl]-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1586
N-[(3-methoxyphenyl)methyl]-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

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

C361-1586

Molecular Formula

C23H28N2O5S (C23 H28 N2 O5 S)

Compound Name

N-[(3-methoxyphenyl)methyl]-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-3-[(2-methyl-1-propanoyl-23-dihydro-1H-indol-5-yl)sulfonyl]propanamide

SMILES

CCC(N(C(C)C1)c(cc2)c1cc2S(CCC(NCc1cc(OC)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C23H28N2O5S/c1-4-23(27)25-16(2)12-18-14-20(8-9-21(18)25)31(28,29)11-10-22(26)24-15-17-6-5-7-19(13-17)30-3/h5-9,13-14,16H,4,10-12,15H2,1-3H3,(H,24,26)/t16-/m1/s1

InChI Key

SKYAGSDCVHNJMK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14752948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.85

Polar Surface Area

75.380

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C361-1586 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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 C361-1586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1586?
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What is the minimum amount of C361-1586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1586
  • 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 C361-1586 available by request