6214-0684 Screening compound: N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxybenzamide

6214-0684 Screening compound: N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxybenzamide
6214-0684 Screening compound: N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0684
N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxybenzamide

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

6214-0684

Molecular Formula

C23H30N2O4S (C23 H30 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-17(2)29-22-11-7-19(8-12-22)23(26)25(21-13-14-30(27,28)16-21)15-18-5-9-20(10-6-18)24(3)4/h5-12,17,21H,13-16H2,1-4H3/t21-/m1/s1

InChI Key

WDJHNOKQVUDBIL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04014365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.715

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-3.18

Polar Surface Area

53.467

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

6214-0684 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 6214-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0684?
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What is the minimum amount of 6214-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0684
  • 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 6214-0684 available by request