D073-0361 Screening compound: 4-methyl-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide

D073-0361 Screening compound: 4-methyl-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide
D073-0361 Screening compound: 4-methyl-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0361
4-methyl-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-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

D073-0361

Molecular Formula

C20H24N4O2S (C20 H24 N4 O2 S)

Compound Name

4-methyl-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide

IUPAC name

4-methyl-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc(cc1)cc2c1n(C)c(CN1CCCC1)n2)(=O)=O

InChI

InChI=1S/C20H24N4O2S/c1-15-5-8-17(9-6-15)27(25,26)22-16-7-10-19-18(13-16)21-20(23(19)2)14-24-11-3-4-12-24/h5-10,13,22H,3-4,11-12,14H2,1-2H3

InChI Key

PKYKCYYZFHBZPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

2.780

Water Solubility, LogSw

-3.55

Polar Surface Area

56.973

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D073-0361 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D073-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0361?
Check Price and Availability of D073-0361, 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 D073-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0361
  • 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 D073-0361 available by request