Y080-0829 Screening compound: N-({1-[(propylcarbamoyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide

Y080-0829 Screening compound: N-({1-[(propylcarbamoyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide
Y080-0829 Screening compound: N-({1-[(propylcarbamoyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0829
N-({1-[(propylcarbamoyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide

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

Y080-0829

Molecular Formula

C15H20N4O2 (C15 H20 N4 O2)

Compound Name

N-({1-[(propylcarbamoyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide

IUPAC name

N-({1-[(propylcarbamoyl)methyl]-1H-13-benzodiazol-2-yl}methyl)acetamide

SMILES

CCCNC(Cn1c(cccc2)c2nc1CNC(C)=O)=O

InChI

InChI=1S/C15H20N4O2/c1-3-8-16-15(21)10-19-13-7-5-4-6-12(13)18-14(19)9-17-11(2)20/h4-7H,3,8-10H2,1-2H3,(H,16,21)(H,17,20)

InChI Key

LSYLWBHMNKANFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11844288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.514

Distribution Coefficient, logD

0.513

Water Solubility, LogSw

-1.88

Polar Surface Area

60.312

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y080-0829 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y080-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0829?
Check Price and Availability of Y080-0829, 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 Y080-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0829
  • 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 Y080-0829 available by request