H025-3203 Screening compound: N-benzyl-N-[8-iodo-3-(phenylsulfonyl)-4-quinolyl]-N-methylamine

H025-3203 Screening compound: N-benzyl-N-[8-iodo-3-(phenylsulfonyl)-4-quinolyl]-N-methylamine
H025-3203 Screening compound: N-benzyl-N-[8-iodo-3-(phenylsulfonyl)-4-quinolyl]-N-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3203
N-benzyl-N-[8-iodo-3-(phenylsulfonyl)-4-quinolyl]-N-methylamine

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

H025-3203

Molecular Formula

C23H19IN2O2S (C23 H19 IN2 O2 S)

Compound Name

N-benzyl-N-[8-iodo-3-(phenylsulfonyl)-4-quinolyl]-N-methylamine

IUPAC name

3-(benzenesulfonyl)-N-benzyl-8-iodo-N-methylquinolin-4-amine

SMILES

CN(Cc1ccccc1)c1c(cccc2I)c2ncc1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C23H19IN2O2S/c1-26(16-17-9-4-2-5-10-17)23-19-13-8-14-20(24)22(19)25-15-21(23)29(27,28)18-11-6-3-7-12-18/h2-15H,16H2,1H3

InChI Key

PSRWEQVQWSPTBP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.455

Distribution Coefficient, logD

5.455

Water Solubility, LogSw

-5.67

Polar Surface Area

41.715

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

H025-3203 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 H025-3203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3203?
Check Price and Availability of H025-3203, 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 H025-3203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3203
  • 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 H025-3203 available by request