C174-0068 Screening compound: N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-2,2-dimethylpropanamide

C174-0068 Screening compound: N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-2,2-dimethylpropanamide
C174-0068 Screening compound: N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0068
N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-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

C174-0068

Molecular Formula

C17H25N3O (C17 H25 N3 O)

Compound Name

N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-2,2-dimethylpropanamide

IUPAC name

N-[(1-butyl-1H-13-benzodiazol-2-yl)methyl]-22-dimethylpropanamide

SMILES

CCCCn1c(cccc2)c2nc1CNC(C(C)(C)C)=O

InChI

InChI=1S/C17H25N3O/c1-5-6-11-20-14-10-8-7-9-13(14)19-15(20)12-18-16(21)17(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,18,21)

InChI Key

KHNFKFZKRLBLNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.777

Distribution Coefficient, logD

3.777

Water Solubility, LogSw

-3.74

Polar Surface Area

36.078

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

C174-0068 in Drug Discovery

Included in Screening Libraries

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 C174-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0068?
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What is the minimum amount of C174-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0068
  • 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 C174-0068 available by request