C324-2946 Screening compound: ethyl 4-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate

C324-2946 Screening compound: ethyl 4-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
C324-2946 Screening compound: ethyl 4-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C324-2946
ethyl 4-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazine-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

C324-2946

Molecular Formula

C18H25N3O5S (C18 H25 N3 O5 S)

Compound Name

ethyl 4-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(1-propanoyl-23-dihydro-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate

SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-3-17(22)21-8-7-14-13-15(5-6-16(14)21)27(24,25)20-11-9-19(10-12-20)18(23)26-4-2/h5-6,13H,3-4,7-12H2,1-2H3

InChI Key

FHRVJVPJHRIPRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.997

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-2.68

Polar Surface Area

70.152

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

C324-2946 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C324-2946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C324-2946?
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What is the minimum amount of C324-2946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C324-2946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C324-2946
  • 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 C324-2946 available by request