0167-0064 Screening compound: 1-acetyl-2,3-dihydro-1H-indole-2-sulfonate

0167-0064 Screening compound: 1-acetyl-2,3-dihydro-1H-indole-2-sulfonate
0167-0064 Screening compound: 1-acetyl-2,3-dihydro-1H-indole-2-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0167-0064
1-acetyl-2,3-dihydro-1H-indole-2-sulfonate

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

0167-0064

Molecular Formula

C10H10NO4S (C10 H10 NO4 S)

Compound Name

1-acetyl-2,3-dihydro-1H-indole-2-sulfonate

IUPAC name

1-acetyl-23-dihydro-1H-indole-2-sulfonate

SMILES

CC(N(C(C1)S([O-])(=O)=O)c2c1cccc2)=O

InChI

InChI=1S/C10H11NO4S/c1-7(12)11-9-5-3-2-4-8(9)6-10(11)16(13,14)15/h2-5,10H,6H2,1H3,(H,13,14,15)/p-1/t10-/m0/s1

InChI Key

UOPWAVAYLGDGIB-JTQLQIEISA-M

MDL Number (MFCD)

MFCD00600645

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

240.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.373

Distribution Coefficient, logD

-0.373

Water Solubility, LogSw

-1.85

Polar Surface Area

57.859

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

0167-0064 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0167-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0167-0064?
Check Price and Availability of 0167-0064, 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 0167-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0167-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0167-0064
  • 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 0167-0064 available by request