8018-6014 Screening compound: 4,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methyl-1-benzenesulfonamide

8018-6014 Screening compound: 4,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methyl-1-benzenesulfonamide
8018-6014 Screening compound: 4,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6014
4,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methyl-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

8018-6014

Molecular Formula

C13H15Cl2N3O2S (C13 H15 Cl2 N3 O2 S)

Compound Name

4,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methyl-1-benzenesulfonamide

IUPAC name

45-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methylbenzene-1-sulfonamide

SMILES

Cc(c(S(NCCCn1cncc1)(=O)=O)c1)cc(Cl)c1Cl

InChI

InChI=1S/C13H15Cl2N3O2S/c1-10-7-11(14)12(15)8-13(10)21(19,20)17-3-2-5-18-6-4-16-9-18/h4,6-9,17H,2-3,5H2,1H3

InChI Key

DSFXOIOEORDHPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.735

Water Solubility, LogSw

-3.48

Polar Surface Area

54.639

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

8018-6014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8018-6014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6014?
Check Price and Availability of 8018-6014, 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 8018-6014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6014
  • 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 8018-6014 available by request