8018-5945 Screening compound: N-[3-(1H-imidazol-1-yl)propyl]-4-methoxy-2,5-dimethylbenzene-1-sulfonamide

8018-5945 Screening compound: N-[3-(1H-imidazol-1-yl)propyl]-4-methoxy-2,5-dimethylbenzene-1-sulfonamide
8018-5945 Screening compound: N-[3-(1H-imidazol-1-yl)propyl]-4-methoxy-2,5-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5945
N-[3-(1H-imidazol-1-yl)propyl]-4-methoxy-2,5-dimethylbenzene-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

8018-5945

Molecular Formula

C15H21N3O3S (C15 H21 N3 O3 S)

Compound Name

N-[3-(1H-imidazol-1-yl)propyl]-4-methoxy-2,5-dimethylbenzene-1-sulfonamide

IUPAC name

N-[3-(1H-imidazol-1-yl)propyl]-4-methoxy-25-dimethylbenzene-1-sulfonamide

SMILES

Cc1cc(S(NCCCn2cncc2)(=O)=O)c(C)cc1OC

InChI

InChI=1S/C15H21N3O3S/c1-12-10-15(13(2)9-14(12)21-3)22(19,20)17-5-4-7-18-8-6-16-11-18/h6,8-11,17H,4-5,7H2,1-3H3

InChI Key

ANNMDMKJGDEHGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

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

2.051

Distribution Coefficient, logD

1.950

Water Solubility, LogSw

-2.26

Polar Surface Area

62.269

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8018-5945 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8018-5945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5945?
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What is the minimum amount of 8018-5945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5945
  • 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 8018-5945 available by request