Y202-9762 Screening compound: N~1~-[1-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-(methylsulfanyl)benzamide

Y202-9762 Screening compound: N~1~-[1-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-(methylsulfanyl)benzamide
Y202-9762 Screening compound: N~1~-[1-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y202-9762
N~1~-[1-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-(methylsulfanyl)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

Y202-9762

Molecular Formula

C17H16ClNO3S (C17 H16 ClNO3 S)

Compound Name

N~1~-[1-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-(methylsulfanyl)benzamide

IUPAC name

N-[1-(2H-13-benzodioxol-5-yl)ethyl]-5-chloro-2-(methylsulfanyl)benzamide

SMILES

CC(c(cc1)cc2c1OCO2)NC(c(cc(cc1)Cl)c1SC)=O

InChI

InChI=1S/C17H16ClNO3S/c1-10(11-3-5-14-15(7-11)22-9-21-14)19-17(20)13-8-12(18)4-6-16(13)23-2/h3-8,10H,9H2,1-2H3,(H,19,20)/t10-/m0/s1

InChI Key

CLEXMFYPGWFGTK-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.75

Polar Surface Area

40.930

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

Y202-9762 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y202-9762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y202-9762?
Check Price and Availability of Y202-9762, 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 Y202-9762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y202-9762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y202-9762
  • 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 Y202-9762 available by request