D011-3040 Screening compound: N-[3-(1-ethyl-1H-1,3-benzodiazol-2-yl)propyl]-2-methylpropanamide

D011-3040 Screening compound: N-[3-(1-ethyl-1H-1,3-benzodiazol-2-yl)propyl]-2-methylpropanamide
D011-3040 Screening compound: N-[3-(1-ethyl-1H-1,3-benzodiazol-2-yl)propyl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3040
N-[3-(1-ethyl-1H-1,3-benzodiazol-2-yl)propyl]-2-methylpropanamide

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

D011-3040

Molecular Formula

C16H23N3O (C16 H23 N3 O)

Compound Name

N-[3-(1-ethyl-1H-1,3-benzodiazol-2-yl)propyl]-2-methylpropanamide

IUPAC name

N-[3-(1-ethyl-1H-13-benzodiazol-2-yl)propyl]-2-methylpropanamide

SMILES

CCn1c(cccc2)c2nc1CCCNC(C(C)C)=O

InChI

InChI=1S/C16H23N3O/c1-4-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)12(2)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,17,20)

InChI Key

MTRWBAZKSLUCER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07414054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

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

2.744

Distribution Coefficient, logD

2.739

Water Solubility, LogSw

-2.98

Polar Surface Area

35.666

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D011-3040 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D011-3040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3040?
Check Price and Availability of D011-3040, 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 D011-3040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3040
  • 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 D011-3040 available by request