D073-0339 Screening compound: 4-methoxy-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide

D073-0339 Screening compound: 4-methoxy-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide
D073-0339 Screening compound: 4-methoxy-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0339
4-methoxy-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide

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

D073-0339

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NC(c(cc2)ccc2OC)=O)c2)c2nc1CN1CCCC1

InChI

InChI=1S/C21H24N4O2/c1-24-19-10-7-16(22-21(26)15-5-8-17(27-2)9-6-15)13-18(19)23-20(24)14-25-11-3-4-12-25/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,26)

InChI Key

FKQFTNZHHDASEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06592331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-3.46

Polar Surface Area

46.958

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D073-0339 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 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
  • 3D

References: we are preparing a list of scientific research reports with D073-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0339?
Check Price and Availability of D073-0339, 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 D073-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0339
  • 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 D073-0339 available by request