6214-0586 Screening compound: 2-(2,6-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)acetamide

6214-0586 Screening compound: 2-(2,6-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)acetamide
6214-0586 Screening compound: 2-(2,6-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0586
2-(2,6-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)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

6214-0586

Molecular Formula

C24H31NO4S (C24 H31 NO4 S)

Compound Name

2-(2,6-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)acetamide

IUPAC name

2-(26-dimethylphenoxy)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}acetamide

SMILES

CC(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(COc2c(C)cccc2C)=O)cc1

InChI

InChI=1S/C24H31NO4S/c1-17(2)21-10-8-20(9-11-21)14-25(22-12-13-30(27,28)16-22)23(26)15-29-24-18(3)6-5-7-19(24)4/h5-11,17,22H,12-16H2,1-4H3/t22-/m1/s1

InChI Key

XFOCSFUMNJUAJI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04015226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

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

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.17

Polar Surface Area

51.005

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

6214-0586 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 6214-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6214-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0586
  • 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 6214-0586 available by request