C105-0558 Screening compound: 3-(2,1,3-benzoxadiazole-4-sulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one

C105-0558 Screening compound: 3-(2,1,3-benzoxadiazole-4-sulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one
C105-0558 Screening compound: 3-(2,1,3-benzoxadiazole-4-sulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-0558
3-(2,1,3-benzoxadiazole-4-sulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one

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

C105-0558

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

3-(2,1,3-benzoxadiazole-4-sulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one

IUPAC name

3-(213-benzoxadiazole-4-sulfonyl)-1-(2-methyl-23-dihydro-1H-indol-1-yl)propan-1-one

SMILES

CC(C1)N(C(CCS(c2cccc3nonc23)(=O)=O)=O)c2c1cccc2

InChI

InChI=1S/C18H17N3O4S/c1-12-11-13-5-2-3-7-15(13)21(12)17(22)9-10-26(23,24)16-8-4-6-14-18(16)20-25-19-14/h2-8,12H,9-11H2,1H3/t12-/m0/s1

InChI Key

OTJPNTAJSXIHAI-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05026763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.885

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-3.47

Polar Surface Area

79.455

Acid Dissociation Constant (pKa)

20.86

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C105-0558 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C105-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-0558?
Check Price and Availability of C105-0558, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C105-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-0558
  • 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 C105-0558 available by request