6214-0589 Screening compound: 4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)benzamide

6214-0589 Screening compound: 4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)benzamide
6214-0589 Screening compound: 4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0589
4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)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

6214-0589

Molecular Formula

C25H33NO4S (C25 H33 NO4 S)

Compound Name

4-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)benzamide

IUPAC name

4-butoxy-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}benzamide

SMILES

CCCCOc(cc1)ccc1C(N(Cc1ccc(C(C)C)cc1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C25H33NO4S/c1-4-5-15-30-24-12-10-22(11-13-24)25(27)26(23-14-16-31(28,29)18-23)17-20-6-8-21(9-7-20)19(2)3/h6-13,19,23H,4-5,14-18H2,1-3H3/t23-/m1/s1

InChI Key

ZZVNXOFTPOLVQZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD04031759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.40

Polar Surface Area

51.277

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

6214-0589 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6214-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0589?
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What is the minimum amount of 6214-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0589
  • 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 6214-0589 available by request