Y020-6021 Screening compound: N-(3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazol-2-yl)benzamide

Y020-6021 Screening compound: N-(3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazol-2-yl)benzamide
Y020-6021 Screening compound: N-(3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6021
N-(3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazol-2-yl)benzamide

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

Y020-6021

Molecular Formula

C14H17N3O (C14 H17 N3 O)

Compound Name

N-(3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazol-2-yl)benzamide

IUPAC name

N-(3a45677a-hexahydro-1H-13-benzodiazol-2-yl)benzamide

SMILES

O=C(c1ccccc1)NC1=NC(CCCC2)C2N1

InChI

InChI=1S/C14H17N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h1-3,6-7,11-12H,4-5,8-9H2,(H2,15,16,17,18)

InChI Key

WWYKJYPDLWLCMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

1.479

Water Solubility, LogSw

-2.66

Polar Surface Area

46.992

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

Y020-6021 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Human Receptors Annotated Library (5376 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y020-6021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6021?
Check Price and Availability of Y020-6021, 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 Y020-6021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6021
  • 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 Y020-6021 available by request