6214-0594 Screening compound: 4-(allyloxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)benzamide

6214-0594 Screening compound: 4-(allyloxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)benzamide
6214-0594 Screening compound: 4-(allyloxy)-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 6214-0594
4-(allyloxy)-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

6214-0594

Molecular Formula

C24H29NO4S (C24 H29 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(c(cc2)ccc2OCC=C)=O)cc1

InChI

InChI=1S/C24H29NO4S/c1-4-14-29-23-11-9-21(10-12-23)24(26)25(22-13-15-30(27,28)17-22)16-19-5-7-20(8-6-19)18(2)3/h4-12,18,22H,1,13-17H2,2-3H3/t22-/m1/s1

InChI Key

MPUAQCLMCBZOCW-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04009511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.56

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

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-3.89

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

37.50

6214-0594 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 6214-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6214-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0594
  • 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 6214-0594 available by request