D125-0601 Screening compound: N-(2-{1-[4-(4-chlorophenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide

D125-0601 Screening compound: N-(2-{1-[4-(4-chlorophenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide
D125-0601 Screening compound: N-(2-{1-[4-(4-chlorophenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-0601
N-(2-{1-[4-(4-chlorophenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide

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

D125-0601

Molecular Formula

C24H30ClN3O2 (C24 H30 ClN3 O2)

Compound Name

N-(2-{1-[4-(4-chlorophenoxy)butyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2,2-dimethylpropanamide

IUPAC name

N-(2-{1-[4-(4-chlorophenoxy)butyl]-1H-13-benzodiazol-2-yl}ethyl)-22-dimethylpropanamide

SMILES

CC(C)(C)C(NCCc1nc(cccc2)c2n1CCCCOc(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H30ClN3O2/c1-24(2,3)23(29)26-15-14-22-27-20-8-4-5-9-21(20)28(22)16-6-7-17-30-19-12-10-18(25)11-13-19/h4-5,8-13H,6-7,14-17H2,1-3H3,(H,26,29)

InChI Key

ACDHODYVZJSQEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07414130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.97

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

5.170

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-5.42

Polar Surface Area

43.066

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D125-0601 in Drug Discovery

Included in Screening Libraries

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 D125-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-0601?
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What is the minimum amount of D125-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-0601
  • 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 D125-0601 available by request