8018-6018 Screening compound: 3,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methylbenzene-1-sulfonamide

8018-6018 Screening compound: 3,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methylbenzene-1-sulfonamide
8018-6018 Screening compound: 3,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6018
3,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methylbenzene-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

8018-6018

Molecular Formula

C13H15Cl2N3O2S (C13 H15 Cl2 N3 O2 S)

Compound Name

3,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methylbenzene-1-sulfonamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C13H15Cl2N3O2S/c1-10-12(15)7-11(14)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

XBJCZUXMRMVGMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800760

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

2.526

Distribution Coefficient, logD

2.425

Water Solubility, LogSw

-3.44

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

8018-6018 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-6018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6018?
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What is the minimum amount of 8018-6018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6018
  • 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 8018-6018 available by request