2995-0075 Screening compound: N-[2-hydroxy-3-(morpholin-4-yl)propyl]-4-methyl-N-(4-methylphenyl)benzene-1-sulfonamide

2995-0075 Screening compound: N-[2-hydroxy-3-(morpholin-4-yl)propyl]-4-methyl-N-(4-methylphenyl)benzene-1-sulfonamide
2995-0075 Screening compound: N-[2-hydroxy-3-(morpholin-4-yl)propyl]-4-methyl-N-(4-methylphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2995-0075
N-[2-hydroxy-3-(morpholin-4-yl)propyl]-4-methyl-N-(4-methylphenyl)benzene-1-sulfonamide

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

2995-0075

Molecular Formula

C21H28N2O4S (C21 H28 N2 O4 S)

Compound Name

N-[2-hydroxy-3-(morpholin-4-yl)propyl]-4-methyl-N-(4-methylphenyl)benzene-1-sulfonamide

IUPAC name

N-[2-hydroxy-3-(morpholin-4-yl)propyl]-4-methyl-N-(4-methylphenyl)benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1N(CC(CN1CCOCC1)O)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C21H28N2O4S/c1-17-3-7-19(8-4-17)23(16-20(24)15-22-11-13-27-14-12-22)28(25,26)21-9-5-18(2)6-10-21/h3-10,20,24H,11-16H2,1-2H3/t20-/m1/s1

InChI Key

IIESQSBUCBQKSC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01408090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-3.02

Polar Surface Area

60.324

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

2995-0075 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2995-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2995-0075?
Check Price and Availability of 2995-0075, 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 2995-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2995-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2995-0075
  • 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 2995-0075 available by request