6214-0685 Screening compound: 4-(allyloxy)-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

6214-0685 Screening compound: 4-(allyloxy)-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide
6214-0685 Screening compound: 4-(allyloxy)-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0685
4-(allyloxy)-N~1~-[4-(dimethylamino)benzyl]-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

6214-0685

Molecular Formula

C23H28N2O4S (C23 H28 N2 O4 S)

Compound Name

4-(allyloxy)-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-14-29-22-11-7-19(8-12-22)23(26)25(21-13-15-30(27,28)17-21)16-18-5-9-20(10-6-18)24(2)3/h4-12,21H,1,13-17H2,2-3H3/t21-/m1/s1

InChI Key

BVULMRCHWRULCZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04025928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-2.91

Polar Surface Area

54.082

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

6214-0685 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 6214-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0685?
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What is the minimum amount of 6214-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0685
  • 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 6214-0685 available by request