D076-0228 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-2-thiophenecarboxamide

D076-0228 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-2-thiophenecarboxamide
D076-0228 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0228
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-2-thiophenecarboxamide

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

D076-0228

Molecular Formula

C16H16FNO3S2 (C16 H16 FNO3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccs1)N(Cc(cccc1)c1F)C(CC1)CS1(=O)=O

InChI

InChI=1S/C16H16FNO3S2/c17-14-5-2-1-4-12(14)10-18(13-7-9-23(20,21)11-13)16(19)15-6-3-8-22-15/h1-6,8,13H,7,9-11H2/t13-/m1/s1

InChI Key

JHQJONJEXDHBGX-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06646519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

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

2.365

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-2.57

Polar Surface Area

44.878

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D076-0228 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with D076-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0228?
Check Price and Availability of D076-0228, 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 D076-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0228
  • 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 D076-0228 available by request