Y070-4017 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorobenzyl)-3-nitrobenzamide

Y070-4017 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorobenzyl)-3-nitrobenzamide
Y070-4017 Screening compound: 4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorobenzyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4017
4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorobenzyl)-3-nitrobenzamide

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

Y070-4017

Molecular Formula

C18H16ClFN2O5S (C18 H16 ClFN2 O5 S)

Compound Name

4-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorobenzyl)-3-nitrobenzamide

IUPAC name

4-chloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-3-nitrobenzamide

SMILES

[O-][N+](c(cc(cc1)C(N(Cc(cc2)ccc2F)C(CC2)CS2(=O)=O)=O)c1Cl)=O

InChI

InChI=1S/C18H16ClFN2O5S/c19-16-6-3-13(9-17(16)22(24)25)18(23)21(15-7-8-28(26,27)11-15)10-12-1-4-14(20)5-2-12/h1-6,9,15H,7-8,10-11H2/t15-/m0/s1

InChI Key

ARVFOBBBEXIKTR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04188932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.119

Distribution Coefficient, logD

2.119

Water Solubility, LogSw

-3.12

Polar Surface Area

76.940

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-9.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

Y070-4017 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-4017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4017?
Check Price and Availability of Y070-4017, 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 Y070-4017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4017
  • 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 Y070-4017 available by request