D076-0152 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-(4-methoxyphenoxy)acetamide

D076-0152 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-(4-methoxyphenoxy)acetamide
D076-0152 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-(4-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0152
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-(4-methoxyphenoxy)acetamide

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

D076-0152

Molecular Formula

C20H22FNO5S (C20 H22 FNO5 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-(4-methoxyphenoxy)acetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide

SMILES

COc(cc1)ccc1OCC(N(Cc1cc(F)ccc1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C20H22FNO5S/c1-26-18-5-7-19(8-6-18)27-13-20(23)22(17-9-10-28(24,25)14-17)12-15-3-2-4-16(21)11-15/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m1/s1

InChI Key

JEXTYCSWAXGBIK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06648928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

1.859

Water Solubility, LogSw

-2.54

Polar Surface Area

58.375

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D076-0152 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 D076-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0152?
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What is the minimum amount of D076-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0152
  • 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 D076-0152 available by request