6214-0284 Screening compound: N~1~-(3-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-propoxybenzamide

6214-0284 Screening compound: N~1~-(3-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-propoxybenzamide
6214-0284 Screening compound: N~1~-(3-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0284
N~1~-(3-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-propoxybenzamide

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

6214-0284

Molecular Formula

C21H24ClNO4S (C21 H24 ClNO4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1C(N(Cc1cccc(Cl)c1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C21H24ClNO4S/c1-2-11-27-20-8-6-17(7-9-20)21(24)23(19-10-12-28(25,26)15-19)14-16-4-3-5-18(22)13-16/h3-9,13,19H,2,10-12,14-15H2,1H3/t19-/m0/s1

InChI Key

XZNBDJTVPKWNJW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04018899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

3.574

Water Solubility, LogSw

-3.87

Polar Surface Area

51.277

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

6214-0284 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6214-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0284?
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What is the minimum amount of 6214-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0284
  • 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 6214-0284 available by request