D011-4598 Screening compound: 2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

D011-4598 Screening compound: 2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
D011-4598 Screening compound: 2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4598
2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

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

D011-4598

Molecular Formula

C23H29N3O2 (C23 H29 N3 O2)

Compound Name

2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

IUPAC name

2-(56-dimethyl-1H-13-benzodiazol-1-yl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

SMILES

CCc(cccc1C)c1N(COCC)C(Cn1c(cc(C)c(C)c2)c2nc1)=O

InChI

InChI=1S/C23H29N3O2/c1-6-19-10-8-9-16(3)23(19)26(15-28-7-2)22(27)13-25-14-24-20-11-17(4)18(5)12-21(20)25/h8-12,14H,6-7,13,15H2,1-5H3

InChI Key

WFSUGCXKTCUZRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04546272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.659

Water Solubility, LogSw

-4.46

Polar Surface Area

33.722

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D011-4598 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D011-4598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4598?
Check Price and Availability of D011-4598, 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 D011-4598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4598
  • 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 D011-4598 available by request