8012-1696 Screening compound: N~1~-[3-(dibenzylamino)-2-hydroxypropyl]-N~1~-(3-methylphenyl)-1-benzenesulfonamide

8012-1696 Screening compound: N~1~-[3-(dibenzylamino)-2-hydroxypropyl]-N~1~-(3-methylphenyl)-1-benzenesulfonamide
8012-1696 Screening compound: N~1~-[3-(dibenzylamino)-2-hydroxypropyl]-N~1~-(3-methylphenyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1696
N~1~-[3-(dibenzylamino)-2-hydroxypropyl]-N~1~-(3-methylphenyl)-1-benzenesulfonamide

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

8012-1696

Molecular Formula

C30H32N2O3S (C30 H32 N2 O3 S)

Compound Name

N~1~-[3-(dibenzylamino)-2-hydroxypropyl]-N~1~-(3-methylphenyl)-1-benzenesulfonamide

IUPAC name

dibenzyl({2-hydroxy-3-[N-(3-methylphenyl)benzenesulfonamido]propyl})amine

SMILES

Cc1cccc(N(CC(CN(Cc2ccccc2)Cc2ccccc2)O)S(c2ccccc2)(=O)=O)c1

InChI

InChI=1S/C30H32N2O3S/c1-25-12-11-17-28(20-25)32(36(34,35)30-18-9-4-10-19-30)24-29(33)23-31(21-26-13-5-2-6-14-26)22-27-15-7-3-8-16-27/h2-20,29,33H,21-24H2,1H3/t29-/m0/s1

InChI Key

CCFSAYGXFQLIAW-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD01408278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.533

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.46

Polar Surface Area

52.123

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8012-1696 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1696?
Check Price and Availability of 8012-1696, 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 8012-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1696
  • 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 8012-1696 available by request