6214-0202 Screening compound: N~1~-(4-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)propanamide

6214-0202 Screening compound: N~1~-(4-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)propanamide
6214-0202 Screening compound: N~1~-(4-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0202
N~1~-(4-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)propanamide

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

6214-0202

Molecular Formula

C20H21ClFNO4S (C20 H21 ClFNO4 S)

Compound Name

N~1~-(4-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)propanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(4-fluorophenoxy)propanamide

SMILES

CC(C(N(Cc(cc1)ccc1Cl)C(CC1)CS1(=O)=O)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C20H21ClFNO4S/c1-14(27-19-8-6-17(22)7-9-19)20(24)23(18-10-11-28(25,26)13-18)12-15-2-4-16(21)5-3-15/h2-9,14,18H,10-13H2,1H3

InChI Key

RSKAZMNUSJOJQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04158393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.91

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

2.836

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-3.37

Polar Surface Area

50.649

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

6214-0202 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6214-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0202?
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What is the minimum amount of 6214-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0202
  • 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 6214-0202 available by request