D076-0078 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(3-methoxybenzyl)acetamide

D076-0078 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(3-methoxybenzyl)acetamide
D076-0078 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(3-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0078
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(3-methoxybenzyl)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

D076-0078

Molecular Formula

C22H27NO5S (C22 H27 NO5 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethylphenoxy)-N~1~-(3-methoxybenzyl)acetamide

IUPAC name

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

SMILES

CCc(cc1)ccc1OCC(N(Cc1cc(OC)ccc1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C22H27NO5S/c1-3-17-7-9-20(10-8-17)28-15-22(24)23(19-11-12-29(25,26)16-19)14-18-5-4-6-21(13-18)27-2/h4-10,13,19H,3,11-12,14-16H2,1-2H3/t19-/m1/s1

InChI Key

KSFIAIKNRRRULP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06648016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.13

Polar Surface Area

58.375

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with D076-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0078?
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What is the minimum amount of D076-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0078
  • 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 D076-0078 available by request