D073-0335 Screening compound: N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}butanamide

D073-0335 Screening compound: N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}butanamide
D073-0335 Screening compound: N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0335
N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}butanamide

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

D073-0335

Molecular Formula

C17H24N4O (C17 H24 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc(cc1)cc2c1n(C)c(CN1CCCC1)n2)=O

InChI

InChI=1S/C17H24N4O/c1-3-6-17(22)18-13-7-8-15-14(11-13)19-16(20(15)2)12-21-9-4-5-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,22)

InChI Key

RMUBNWJFYVAYNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06607114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.279

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-2.98

Polar Surface Area

39.473

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

D073-0335 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 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
  • Pool

References: we are preparing a list of scientific research reports with D073-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0335?
Check Price and Availability of D073-0335, 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 D073-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0335
  • 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 D073-0335 available by request