D125-0598 Screening compound: 2,2-dimethyl-N-(2-{1-[4-(2-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethyl)propanamide

D125-0598 Screening compound: 2,2-dimethyl-N-(2-{1-[4-(2-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethyl)propanamide
D125-0598 Screening compound: 2,2-dimethyl-N-(2-{1-[4-(2-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-0598
2,2-dimethyl-N-(2-{1-[4-(2-methylphenoxy)butyl]-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

D125-0598

Molecular Formula

C25H33N3O2 (C25 H33 N3 O2)

Compound Name

2,2-dimethyl-N-(2-{1-[4-(2-methylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethyl)propanamide

IUPAC name

22-dimethyl-N-(2-{1-[4-(2-methylphenoxy)butyl]-1H-13-benzodiazol-2-yl}ethyl)propanamide

SMILES

CC(C)(C)C(NCCc1nc(cccc2)c2n1CCCCOc1c(C)cccc1)=O

InChI

InChI=1S/C25H33N3O2/c1-19-11-5-8-14-22(19)30-18-10-9-17-28-21-13-7-6-12-20(21)27-23(28)15-16-26-24(29)25(2,3)4/h5-8,11-14H,9-10,15-18H2,1-4H3,(H,26,29)

InChI Key

INBGJRIMOSVPCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07414128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.986

Distribution Coefficient, logD

4.984

Water Solubility, LogSw

-4.54

Polar Surface Area

43.152

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D125-0598 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D125-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-0598?
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What is the minimum amount of D125-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-0598
  • 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 D125-0598 available by request