D076-0261 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)acetamide

D076-0261 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)acetamide
D076-0261 Screening compound: 2-(4-chloro-3,5-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 D076-0261
2-(4-chloro-3,5-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

D076-0261

Molecular Formula

C21H23ClFNO4S (C21 H23 ClFNO4 S)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)acetamide

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide

SMILES

Cc1cc(OCC(N(Cc(cccc2)c2F)C(CC2)CS2(=O)=O)=O)cc(C)c1Cl

InChI

InChI=1S/C21H23ClFNO4S/c1-14-9-18(10-15(2)21(14)22)28-12-20(25)24(17-7-8-29(26,27)13-17)11-16-5-3-4-6-19(16)23/h3-6,9-10,17H,7-8,11-13H2,1-2H3/t17-/m0/s1

InChI Key

ZQSIOTVXZINQHK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06651341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.94

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

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-4.53

Polar Surface Area

50.831

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with D076-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0261?
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What is the minimum amount of D076-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0261
  • 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 D076-0261 available by request