H025-0580 Screening compound: 10-(phenylsulfonyl)-1,2,3,4-tetrahydropyrido[1,2-a]indole

H025-0580 Screening compound: 10-(phenylsulfonyl)-1,2,3,4-tetrahydropyrido[1,2-a]indole
H025-0580 Screening compound: 10-(phenylsulfonyl)-1,2,3,4-tetrahydropyrido[1,2-a]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0580
10-(phenylsulfonyl)-1,2,3,4-tetrahydropyrido[1,2-a]indole

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

H025-0580

Molecular Formula

C18H17NO2S (C18 H17 NO2 S)

Compound Name

10-(phenylsulfonyl)-1,2,3,4-tetrahydropyrido[1,2-a]indole

IUPAC name

10-(benzenesulfonyl)-1H2H3H4H-pyrido[12-a]indole

SMILES

O=S(c1c(cccc2)n2c2c1CCCC2)(c1ccccc1)=O

InChI

InChI=1S/C18H17NO2S/c20-22(21,14-8-2-1-3-9-14)18-15-10-4-5-11-16(15)19-13-7-6-12-17(18)19/h1-3,6-9,12-13H,4-5,10-11H2

InChI Key

RGGSHRKYWLLDPO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.559

Water Solubility, LogSw

-3.67

Polar Surface Area

30.010

Acid Dissociation Constant (pKa)

24.83

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

H025-0580 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0580?
Check Price and Availability of H025-0580, 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 H025-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0580
  • 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 H025-0580 available by request