6214-0689 Screening compound: N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide

6214-0689 Screening compound: N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide
6214-0689 Screening compound: N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0689
N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide

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

6214-0689

Molecular Formula

C24H32N2O4S (C24 H32 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H32N2O4S/c1-18(2)16-30-23-11-7-20(8-12-23)24(27)26(22-13-14-31(28,29)17-22)15-19-5-9-21(10-6-19)25(3)4/h5-12,18,22H,13-17H2,1-4H3/t22-/m1/s1

InChI Key

GWRFRHXECMJDDH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04019284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

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

3.331

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.66

Polar Surface Area

54.164

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

6214-0689 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 6214-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0689?
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What is the minimum amount of 6214-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0689
  • 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 6214-0689 available by request