6214-0317 Screening compound: 3-butoxy-N~1~-(3-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

6214-0317 Screening compound: 3-butoxy-N~1~-(3-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide
6214-0317 Screening compound: 3-butoxy-N~1~-(3-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0317
3-butoxy-N~1~-(3-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

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

6214-0317

Molecular Formula

C22H26ClNO4S (C22 H26 ClNO4 S)

Compound Name

3-butoxy-N~1~-(3-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

IUPAC name

3-butoxy-N-[(3-chlorophenyl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)benzamide

SMILES

CCCCOc1cccc(C(N(Cc2cccc(Cl)c2)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C22H26ClNO4S/c1-2-3-11-28-21-9-5-7-18(14-21)22(25)24(20-10-12-29(26,27)16-20)15-17-6-4-8-19(23)13-17/h4-9,13-14,20H,2-3,10-12,15-16H2,1H3/t20-/m0/s1

InChI Key

ZZDSGDYDDZIVTE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04016507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.26

Polar Surface Area

51.277

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

6214-0317 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 6214-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0317?
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What is the minimum amount of 6214-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0317
  • 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 6214-0317 available by request