D051-0018 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methylphenoxy)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide

D051-0018 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methylphenoxy)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide
D051-0018 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methylphenoxy)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0018
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methylphenoxy)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide

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

D051-0018

Molecular Formula

C19H23NO4S2 (C19 H23 NO4 S2)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methylphenoxy)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(4-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1c(CN(C(CC2)CS2(=O)=O)C(COc2ccc(C)cc2)=O)scc1

InChI

InChI=1S/C19H23NO4S2/c1-14-3-5-17(6-4-14)24-12-19(21)20(11-18-15(2)7-9-25-18)16-8-10-26(22,23)13-16/h3-7,9,16H,8,10-13H2,1-2H3/t16-/m1/s1

InChI Key

YGRGYXIBRVEZML-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06645686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

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

2.624

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-2.81

Polar Surface Area

51.850

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D051-0018 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D051-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0018?
Check Price and Availability of D051-0018, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D051-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0018
  • 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 D051-0018 available by request