D044-0113 Screening compound: 4-chloro-N-methyl-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]benzamide

D044-0113 Screening compound: 4-chloro-N-methyl-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]benzamide
D044-0113 Screening compound: 4-chloro-N-methyl-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0113
4-chloro-N-methyl-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]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

D044-0113

Molecular Formula

C17H16ClN3O (C17 H16 ClN3 O)

Compound Name

4-chloro-N-methyl-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]benzamide

IUPAC name

4-chloro-N-methyl-N-[(1-methyl-1H-13-benzodiazol-2-yl)methyl]benzamide

SMILES

CN(Cc1nc(cccc2)c2n1C)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H16ClN3O/c1-20(17(22)12-7-9-13(18)10-8-12)11-16-19-14-5-3-4-6-15(14)21(16)2/h3-10H,11H2,1-2H3

InChI Key

KJMXSYDNIYCHFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.54

Polar Surface Area

28.375

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D044-0113 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

Immunological Library (6760 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • Epigenetic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with D044-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0113?
Check Price and Availability of D044-0113, 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 D044-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0113
  • 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 D044-0113 available by request