4013-1636 Screening compound: N-[3-(dicyclohexylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide

4013-1636 Screening compound: N-[3-(dicyclohexylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
4013-1636 Screening compound: N-[3-(dicyclohexylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4013-1636
N-[3-(dicyclohexylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide

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

4013-1636

Molecular Formula

C27H38N2O3S (C27 H38 N2 O3 S)

Compound Name

N-[3-(dicyclohexylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide

IUPAC name

N-[3-(dicyclohexylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide

SMILES

OC(CN(C1CCCCC1)C1CCCCC1)CN(c1ccccc1)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C27H38N2O3S/c30-26(21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-29(25-17-9-3-10-18-25)33(31,32)27-19-11-4-12-20-27/h3-4,9-12,17-20,23-24,26,30H,1-2,5-8,13-16,21-22H2/t26-/m0/s1

InChI Key

QCJDJAYMGZOLOV-SANMLTNESA-N

MDL Number (MFCD)

MFCD02928982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.700

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-5.56

Polar Surface Area

50.505

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

4013-1636 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4013-1636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4013-1636?
Check Price and Availability of 4013-1636, 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 4013-1636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4013-1636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4013-1636
  • 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 4013-1636 available by request