D076-0196 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-propoxybenzamide

D076-0196 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-propoxybenzamide
D076-0196 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0196
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-propoxybenzamide

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

D076-0196

Molecular Formula

C21H24FNO4S (C21 H24 FNO4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cccc1)c1C(N(Cc1cc(F)ccc1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C21H24FNO4S/c1-2-11-27-20-9-4-3-8-19(20)21(24)23(18-10-12-28(25,26)15-18)14-16-6-5-7-17(22)13-16/h3-9,13,18H,2,10-12,14-15H2,1H3/t18-/m1/s1

InChI Key

UDXVACMJLHZHHK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06648624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.49

Polar Surface Area

51.364

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-6.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D076-0196 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D076-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0196?
Check Price and Availability of D076-0196, 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 D076-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0196
  • 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 D076-0196 available by request