C361-1955 Screening compound: 4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanoyl}-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione

C361-1955 Screening compound: 4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanoyl}-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione
C361-1955 Screening compound: 4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanoyl}-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1955
4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanoyl}-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione

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

C361-1955

Molecular Formula

C25H27N3O6S (C25 H27 N3 O6 S)

Compound Name

4-{3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanoyl}-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione

IUPAC name

4-{3-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]propanoyl}-1-(2-phenylethyl)piperazine-26-dione

SMILES

CC(N(CC1)c(cc2)c1cc2S(CCC(N(CC(N1CCc2ccccc2)=O)CC1=O)=O)(=O)=O)=O

InChI

InChI=1S/C25H27N3O6S/c1-18(29)27-13-10-20-15-21(7-8-22(20)27)35(33,34)14-11-23(30)26-16-24(31)28(25(32)17-26)12-9-19-5-3-2-4-6-19/h2-8,15H,9-14,16-17H2,1H3

InChI Key

FESZXLDNBOUPRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.164

Distribution Coefficient, logD

0.164

Water Solubility, LogSw

-2.26

Polar Surface Area

91.181

Acid Dissociation Constant (pKa)

20.96

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C361-1955 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1955
  • 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 C361-1955 available by request