G845-0109 Screening compound: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone

G845-0109 Screening compound: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone
G845-0109 Screening compound: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound G845-0109
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone

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

G845-0109

Molecular Formula

C17H15N3O3S2 (C17 H15 N3 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone

IUPAC name

2-(213-benzothiadiazole-4-sulfonyl)-1-(2-methyl-23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

CC(C1)N(C(CS(c2cccc3nsnc23)(=O)=O)=O)c2c1cccc2

InChI

InChI=1S/C17H15N3O3S2/c1-11-9-12-5-2-3-7-14(12)20(11)16(21)10-25(22,23)15-8-4-6-13-17(15)19-24-18-13/h2-8,11H,9-10H2,1H3/t11-/m0/s1

InChI Key

RJICORBQLQCYQX-NSHDSACASA-N

MDL Number (MFCD)

MFCD15039835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.673

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-3.05

Polar Surface Area

64.318

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

G845-0109 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G845-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G845-0109?
Check Price and Availability of G845-0109, 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 G845-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G845-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G845-0109
  • 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 G845-0109 available by request