Y300-1201 Screening compound: 4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)-N~1~-(2-furylmethyl)benzamide

Y300-1201 Screening compound: 4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)-N~1~-(2-furylmethyl)benzamide
Y300-1201 Screening compound: 4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)-N~1~-(2-furylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-1201
4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)-N~1~-(2-furylmethyl)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

Y300-1201

Molecular Formula

C16H18N2O4S (C16 H18 N2 O4 S)

Compound Name

4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)-N~1~-(2-furylmethyl)benzamide

IUPAC name

4-(11-dioxo-1lambda62-thiazinan-2-yl)-N-[(furan-2-yl)methyl]benzamide

SMILES

O=C(c(cc1)ccc1N(CCCC1)S1(=O)=O)NCc1ccco1

InChI

InChI=1S/C16H18N2O4S/c19-16(17-12-15-4-3-10-22-15)13-5-7-14(8-6-13)18-9-1-2-11-23(18,20)21/h3-8,10H,1-2,9,11-12H2,(H,17,19)

InChI Key

WMNJRJCXDVDXAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08044122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

1.684

Water Solubility, LogSw

-2.39

Polar Surface Area

64.070

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

Y300-1201 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y300-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-1201?
Check Price and Availability of Y300-1201, 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 Y300-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-1201
  • 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 Y300-1201 available by request