Y080-1222 Screening compound: 2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one

Y080-1222 Screening compound: 2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one
Y080-1222 Screening compound: 2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1222
2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one

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

Y080-1222

Molecular Formula

C16H21N3O2 (C16 H21 N3 O2)

Compound Name

2-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-[2-(hydroxymethyl)-1H-13-benzodiazol-1-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(Cn1c(cccc2)c2nc1CO)=O

InChI

InChI=1S/C16H21N3O2/c1-12-6-8-18(9-7-12)16(21)10-19-14-5-3-2-4-13(14)17-15(19)11-20/h2-5,12,20H,6-11H2,1H3

InChI Key

GTMSMZRFLMCEAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-1.79

Polar Surface Area

44.651

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y080-1222 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with Y080-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1222?
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What is the minimum amount of Y080-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1222
  • 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 Y080-1222 available by request