D076-0013 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-N~1~-(3-methoxybenzyl)benzamide

D076-0013 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-N~1~-(3-methoxybenzyl)benzamide
D076-0013 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-N~1~-(3-methoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0013
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-N~1~-(3-methoxybenzyl)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

D076-0013

Molecular Formula

C19H20FNO4S (C19 H20 FNO4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-fluoro-N~1~-(3-methoxybenzyl)benzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide

SMILES

COc1cccc(CN(C(CC2)CS2(=O)=O)C(c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C19H20FNO4S/c1-25-18-4-2-3-14(11-18)12-21(17-9-10-26(23,24)13-17)19(22)15-5-7-16(20)8-6-15/h2-8,11,17H,9-10,12-13H2,1H3/t17-/m1/s1

InChI Key

KLWWKQVZXHOQJF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06645681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.043

Distribution Coefficient, logD

2.043

Water Solubility, LogSw

-2.62

Polar Surface Area

51.403

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D076-0013 in Drug Discovery

Included in Screening Libraries

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 D076-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0013?
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What is the minimum amount of D076-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0013
  • 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 D076-0013 available by request