D078-0014 Screening compound: N-{2-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethyl}furan-2-carboxamide

D078-0014 Screening compound: N-{2-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethyl}furan-2-carboxamide
D078-0014 Screening compound: N-{2-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0014
N-{2-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethyl}furan-2-carboxamide

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

D078-0014

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

N-{2-[1-(2-methylpropyl)-1H-1,3-benzodiazol-2-yl]ethyl}furan-2-carboxamide

IUPAC name

N-{2-[1-(2-methylpropyl)-1H-13-benzodiazol-2-yl]ethyl}furan-2-carboxamide

SMILES

CC(C)Cn1c(cccc2)c2nc1CCNC(c1ccco1)=O

InChI

InChI=1S/C18H21N3O2/c1-13(2)12-21-15-7-4-3-6-14(15)20-17(21)9-10-19-18(22)16-8-5-11-23-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,22)

InChI Key

PURFCJAIWNHOHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07349398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

3.084

Water Solubility, LogSw

-3.32

Polar Surface Area

44.248

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D078-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with D078-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0014?
Check Price and Availability of D078-0014, 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 D078-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0014
  • 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 D078-0014 available by request