D076-0209 Screening compound: 2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)benzamide

D076-0209 Screening compound: 2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)benzamide
D076-0209 Screening compound: 2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0209
2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)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

D076-0209

Molecular Formula

C18H17BrFNO3S (C18 H17 BrFNO3 S)

Compound Name

2-bromo-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)benzamide

IUPAC name

2-bromo-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(2-fluorophenyl)methyl]benzamide

SMILES

O=C(c(cccc1)c1Br)N(Cc(cccc1)c1F)C(CC1)CS1(=O)=O

InChI

InChI=1S/C18H17BrFNO3S/c19-16-7-3-2-6-15(16)18(22)21(14-9-10-25(23,24)12-14)11-13-5-1-4-8-17(13)20/h1-8,14H,9-12H2/t14-/m0/s1

InChI Key

CJNGIZLADTVIMT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06646511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-3.50

Polar Surface Area

43.860

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D076-0209 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D076-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0209?
Check Price and Availability of D076-0209, 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 D076-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0209
  • 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 D076-0209 available by request