D051-0181 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-fluoro-N~1~-[(5-methyl-2-furyl)methyl]benzamide

D051-0181 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-fluoro-N~1~-[(5-methyl-2-furyl)methyl]benzamide
D051-0181 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-fluoro-N~1~-[(5-methyl-2-furyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0181
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-fluoro-N~1~-[(5-methyl-2-furyl)methyl]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

D051-0181

Molecular Formula

C17H18FNO4S (C17 H18 FNO4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-fluoro-N~1~-[(5-methyl-2-furyl)methyl]benzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide

SMILES

Cc1ccc(CN(C(CC2)CS2(=O)=O)C(c(cccc2)c2F)=O)o1

InChI

InChI=1S/C17H18FNO4S/c1-12-6-7-14(23-12)10-19(13-8-9-24(21,22)11-13)17(20)15-4-2-3-5-16(15)18/h2-7,13H,8-11H2,1H3/t13-/m1/s1

InChI Key

ZEDLOACTKSONRU-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06633418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

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

1.929

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-2.75

Polar Surface Area

51.123

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-6.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D051-0181 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 D051-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0181?
Check Price and Availability of D051-0181, 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 D051-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0181
  • 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 D051-0181 available by request