D076-0265 Screening compound: 2-(2,3-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)acetamide

D076-0265 Screening compound: 2-(2,3-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)acetamide
D076-0265 Screening compound: 2-(2,3-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0265
2-(2,3-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)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

D076-0265

Molecular Formula

C21H24FNO4S (C21 H24 FNO4 S)

Compound Name

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

IUPAC name

2-(23-dimethylphenoxy)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide

SMILES

Cc1cccc(OCC(N(Cc(cccc2)c2F)C(CC2)CS2(=O)=O)=O)c1C

InChI

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

InChI Key

QMQKBCFTFCURHS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD07427028

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.19

Polar Surface Area

50.918

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D076-0265 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 D076-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0265?
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What is the minimum amount of D076-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0265
  • 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 D076-0265 available by request