C361-1799 Screening compound: 3-[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]-N-[(4-METHOXYPHENYL)METHYL]PROPANAMIDE

C361-1799 Screening compound: 3-[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]-N-[(4-METHOXYPHENYL)METHYL]PROPANAMIDE
C361-1799 Screening compound: 3-[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]-N-[(4-METHOXYPHENYL)METHYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1799
3-[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]-N-[(4-METHOXYPHENYL)METHYL]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

C361-1799

Molecular Formula

C21H24N2O5S (C21 H24 N2 O5 S)

Compound Name

3-[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]-N-[(4-METHOXYPHENYL)METHYL]PROPANAMIDE

IUPAC name

n/a

SMILES

CC(N(CC1)c(cc2)c1cc2S(CCC(NCc(cc1)ccc1OC)=O)(=O)=O)=O

InChI

InChI=1S/C21H24N2O5S/c1-15(24)23-11-9-17-13-19(7-8-20(17)23)29(26,27)12-10-21(25)22-14-16-3-5-18(28-2)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)

InChI Key

GDADTXKJOAYUQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

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

1.332

Distribution Coefficient, logD

1.332

Water Solubility, LogSw

-2.46

Polar Surface Area

77.437

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C361-1799 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C361-1799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1799?
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What is the minimum amount of C361-1799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1799
  • 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 C361-1799 available by request