C361-0689 Screening compound: 1-cyclopropanecarbonyl-N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide

C361-0689 Screening compound: 1-cyclopropanecarbonyl-N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide
C361-0689 Screening compound: 1-cyclopropanecarbonyl-N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-0689
1-cyclopropanecarbonyl-N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide

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

C361-0689

Molecular Formula

C16H22N2O5S (C16 H22 N2 O5 S)

Compound Name

1-cyclopropanecarbonyl-N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-cyclopropanecarbonyl-N-(22-dimethoxyethyl)-23-dihydro-1H-indole-5-sulfonamide

SMILES

COC(CNS(c(cc1)cc(CC2)c1N2C(C1CC1)=O)(=O)=O)OC

InChI

InChI=1S/C16H22N2O5S/c1-22-15(23-2)10-17-24(20,21)13-5-6-14-12(9-13)7-8-18(14)16(19)11-3-4-11/h5-6,9,11,15,17H,3-4,7-8,10H2,1-2H3

InChI Key

XKNAIXSWRGQOGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.161

Distribution Coefficient, logD

1.161

Water Solubility, LogSw

-2.44

Polar Surface Area

73.965

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

C361-0689 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C361-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-0689?
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What is the minimum amount of C361-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-0689
  • 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 C361-0689 available by request