Y080-1061 Screening compound: N-butyl-2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-N-methylacetamide

Y080-1061 Screening compound: N-butyl-2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-N-methylacetamide
Y080-1061 Screening compound: N-butyl-2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1061
N-butyl-2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-N-methylacetamide

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

Y080-1061

Molecular Formula

C15H21N3O2 (C15 H21 N3 O2)

Compound Name

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

IUPAC name

N-butyl-2-[2-(hydroxymethyl)-1H-13-benzodiazol-1-yl]-N-methylacetamide

SMILES

CCCCN(C)C(Cn1c(cccc2)c2nc1CO)=O

InChI

InChI=1S/C15H21N3O2/c1-3-4-9-17(2)15(20)10-18-13-8-6-5-7-12(13)16-14(18)11-19/h5-8,19H,3-4,9-11H2,1-2H3

InChI Key

SXJUWKPKXKHDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.35

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

1.520

Distribution Coefficient, logD

1.464

Water Solubility, LogSw

-1.65

Polar Surface Area

44.403

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

Y080-1061 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y080-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1061?
Check Price and Availability of Y080-1061, 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 Y080-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1061
  • 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 Y080-1061 available by request