Y080-0797 Screening compound: 2-[2-(methoxymethyl)-1H-1,3-benzodiazol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

Y080-0797 Screening compound: 2-[2-(methoxymethyl)-1H-1,3-benzodiazol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
Y080-0797 Screening compound: 2-[2-(methoxymethyl)-1H-1,3-benzodiazol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0797
2-[2-(methoxymethyl)-1H-1,3-benzodiazol-1-yl]-N-[(oxolan-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

Y080-0797

Molecular Formula

C16H21N3O3 (C16 H21 N3 O3)

Compound Name

2-[2-(methoxymethyl)-1H-1,3-benzodiazol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-[2-(methoxymethyl)-1H-13-benzodiazol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

COCc1nc(cccc2)c2n1CC(NCC1OCCC1)=O

InChI

InChI=1S/C16H21N3O3/c1-21-11-15-18-13-6-2-3-7-14(13)19(15)10-16(20)17-9-12-5-4-8-22-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20)/t12-/m1/s1

InChI Key

FGRGRPHVGZTQPE-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD11844287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.936

Distribution Coefficient, logD

0.922

Water Solubility, LogSw

-1.99

Polar Surface Area

52.693

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y080-0797 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y080-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0797?
Check Price and Availability of Y080-0797, 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 Y080-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0797
  • 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 Y080-0797 available by request