6214-0551 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)-3-methoxybenzamide

6214-0551 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)-3-methoxybenzamide
6214-0551 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0551
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylbenzyl)-3-methoxybenzamide

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

6214-0551

Molecular Formula

C22H27NO4S (C22 H27 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(c2cc(OC)ccc2)=O)cc1

InChI

InChI=1S/C22H27NO4S/c1-16(2)18-9-7-17(8-10-18)14-23(20-11-12-28(25,26)15-20)22(24)19-5-4-6-21(13-19)27-3/h4-10,13,16,20H,11-12,14-15H2,1-3H3/t20-/m1/s1

InChI Key

KOFFCULKHMVWPA-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04025759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.55

Polar Surface Area

51.403

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

6214-0551 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6214-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0551?
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What is the minimum amount of 6214-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0551
  • 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 6214-0551 available by request