D051-0020 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methoxyphenoxy)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide

D051-0020 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methoxyphenoxy)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide
D051-0020 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methoxyphenoxy)-N~1~-[(3-methyl-2-thienyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0020
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methoxyphenoxy)-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

D051-0020

Molecular Formula

C19H23NO5S2 (C19 H23 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(C(CC2)CS2(=O)=O)C(COc(cccc2)c2OC)=O)scc1

InChI

InChI=1S/C19H23NO5S2/c1-14-7-9-26-18(14)11-20(15-8-10-27(22,23)13-15)19(21)12-25-17-6-4-3-5-16(17)24-2/h3-7,9,15H,8,10-13H2,1-2H3/t15-/m1/s1

InChI Key

KMACNJKSBBGPSO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06651317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.948

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.34

Polar Surface Area

59.567

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D051-0020 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 D051-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0020?
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What is the minimum amount of D051-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0020
  • 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 D051-0020 available by request