D076-0229 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-2-furamide

D076-0229 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-2-furamide
D076-0229 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0229
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-2-furamide

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

D076-0229

Molecular Formula

C16H16FNO4S (C16 H16 FNO4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccco1)N(Cc(cccc1)c1F)C(CC1)CS1(=O)=O

InChI

InChI=1S/C16H16FNO4S/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

BLYFSAJCAKWQDA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06646517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.645

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-2.18

Polar Surface Area

52.438

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D076-0229 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D076-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0229?
Check Price and Availability of D076-0229, 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 D076-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0229
  • 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 D076-0229 available by request