6214-0636 Screening compound: N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methylbenzamide

6214-0636 Screening compound: N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methylbenzamide
6214-0636 Screening compound: N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0636
N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-methylbenzamide

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

6214-0636

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

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

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-N-(11-dioxo-1lambda6-thiolan-3-yl)-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(N(Cc(cc1)ccc1N(C)C)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C21H26N2O3S/c1-16-4-8-18(9-5-16)21(24)23(20-12-13-27(25,26)15-20)14-17-6-10-19(11-7-17)22(2)3/h4-11,20H,12-15H2,1-3H3/t20-/m1/s1

InChI Key

SBOCOXNHJQIJPO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04014870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.472

Distribution Coefficient, logD

2.457

Water Solubility, LogSw

-2.62

Polar Surface Area

46.664

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

6214-0636 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 6214-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0636?
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What is the minimum amount of 6214-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0636
  • 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 6214-0636 available by request