C189-0465 Screening compound: 1-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methanesulfonyl]-1H-indole

C189-0465 Screening compound: 1-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methanesulfonyl]-1H-indole
C189-0465 Screening compound: 1-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methanesulfonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C189-0465
1-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methanesulfonyl]-1H-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

C189-0465

Molecular Formula

C23H20ClNO2S (C23 H20 ClNO2 S)

Compound Name

1-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methanesulfonyl]-1H-indole

IUPAC name

1-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methanesulfonyl]-1H-indole

SMILES

Cc1c(CS(c2cn(Cc(cccc3)c3Cl)c3c2cccc3)(=O)=O)cccc1

InChI

InChI=1S/C23H20ClNO2S/c1-17-8-2-3-10-19(17)16-28(26,27)23-15-25(22-13-7-5-11-20(22)23)14-18-9-4-6-12-21(18)24/h2-13,15H,14,16H2,1H3

InChI Key

KTDNYWCBHCVQTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.971

Distribution Coefficient, logD

5.971

Water Solubility, LogSw

-6.10

Polar Surface Area

30.735

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C189-0465 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 C189-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C189-0465?
Check Price and Availability of C189-0465, 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 C189-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C189-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C189-0465
  • 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 C189-0465 available by request