D073-0362 Screening compound: 4-chloro-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide

D073-0362 Screening compound: 4-chloro-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide
D073-0362 Screening compound: 4-chloro-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 D073-0362
4-chloro-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

D073-0362

Molecular Formula

C19H21ClN4O2S (C19 H21 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NS(c(cc2)ccc2Cl)(=O)=O)c2)c2nc1CN1CCCC1

InChI

InChI=1S/C19H21ClN4O2S/c1-23-18-9-6-15(22-27(25,26)16-7-4-14(20)5-8-16)12-17(18)21-19(23)13-24-10-2-3-11-24/h4-9,12,22H,2-3,10-11,13H2,1H3

InChI Key

QZSZPPPCXNBDHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06609193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.92

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

3.431

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.89

Polar Surface Area

56.973

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D073-0362 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D073-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0362?
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What is the minimum amount of D073-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0362
  • 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 D073-0362 available by request