Y080-1062 Screening compound: 2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-N,N-dipropylacetamide

Y080-1062 Screening compound: 2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-N,N-dipropylacetamide
Y080-1062 Screening compound: 2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1062
2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-N,N-dipropylacetamide

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

Y080-1062

Molecular Formula

C16H23N3O2 (C16 H23 N3 O2)

Compound Name

2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-N,N-dipropylacetamide

IUPAC name

2-[2-(hydroxymethyl)-1H-13-benzodiazol-1-yl]-NN-dipropylacetamide

SMILES

CCCN(CCC)C(Cn1c(cccc2)c2nc1CO)=O

InChI

InChI=1S/C16H23N3O2/c1-3-9-18(10-4-2)16(21)11-19-14-8-6-5-7-13(14)17-15(19)12-20/h5-8,20H,3-4,9-12H2,1-2H3

InChI Key

GDFOZVSGJXHHIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.091

Distribution Coefficient, logD

2.034

Water Solubility, LogSw

-2.21

Polar Surface Area

44.442

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y080-1062 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with Y080-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1062?
Check Price and Availability of Y080-1062, 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 Y080-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1062
  • 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 Y080-1062 available by request