D076-0240 Screening compound: 2-(2-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)acetamide

D076-0240 Screening compound: 2-(2-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)acetamide
D076-0240 Screening compound: 2-(2-chlorophenoxy)-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 D076-0240
2-(2-chlorophenoxy)-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

D076-0240

Molecular Formula

C19H19ClFNO4S (C19 H19 ClFNO4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cccc1)c1Cl)N(Cc(cccc1)c1F)C(CC1)CS1(=O)=O

InChI

InChI=1S/C19H19ClFNO4S/c20-16-6-2-4-8-18(16)26-12-19(23)22(15-9-10-27(24,25)13-15)11-14-5-1-3-7-17(14)21/h1-8,15H,9-13H2/t15-/m0/s1

InChI Key

QLWBIRKOYIPFOT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06646778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.88

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

2.624

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-3.18

Polar Surface Area

50.918

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D076-0240 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D076-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0240?
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What is the minimum amount of D076-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0240
  • 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 D076-0240 available by request