D011-6084 Screening compound: 2,2-dimethyl-N-(2-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)propanamide

D011-6084 Screening compound: 2,2-dimethyl-N-(2-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)propanamide
D011-6084 Screening compound: 2,2-dimethyl-N-(2-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-6084
2,2-dimethyl-N-(2-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)propanamide

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

D011-6084

Molecular Formula

C23H29N3O2 (C23 H29 N3 O2)

Compound Name

2,2-dimethyl-N-(2-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)propanamide

IUPAC name

22-dimethyl-N-(2-{1-[2-(2-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}ethyl)propanamide

SMILES

CC(C)(C)C(NCCc1nc(cccc2)c2n1CCOc1c(C)cccc1)=O

InChI

InChI=1S/C23H29N3O2/c1-17-9-5-8-12-20(17)28-16-15-26-19-11-7-6-10-18(19)25-21(26)13-14-24-22(27)23(2,3)4/h5-12H,13-16H2,1-4H3,(H,24,27)

InChI Key

YNVRNMYZXWOJPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.33

Polar Surface Area

43.152

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D011-6084 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 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
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with D011-6084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-6084?
Check Price and Availability of D011-6084, 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 D011-6084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-6084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-6084
  • 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 D011-6084 available by request