C174-0698 Screening compound: 2,2-dimethyl-N-{2-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]ethyl}propanamide

C174-0698 Screening compound: 2,2-dimethyl-N-{2-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]ethyl}propanamide
C174-0698 Screening compound: 2,2-dimethyl-N-{2-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0698
2,2-dimethyl-N-{2-[1-(2-methylprop-2-en-1-yl)-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

C174-0698

Molecular Formula

C18H25N3O (C18 H25 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(NCCc1nc(cccc2)c2n1CC(C)=C)=O

InChI

InChI=1S/C18H25N3O/c1-13(2)12-21-15-9-7-6-8-14(15)20-16(21)10-11-19-17(22)18(3,4)5/h6-9H,1,10-12H2,2-5H3,(H,19,22)

InChI Key

DPNDQWMKOWGPNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.42

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

3.540

Distribution Coefficient, logD

3.540

Water Solubility, LogSw

-3.55

Polar Surface Area

35.941

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C174-0698 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Soluble Diversity Library (15920 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C174-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0698?
Check Price and Availability of C174-0698, 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 C174-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0698
  • 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 C174-0698 available by request