D276-0702 Screening compound: N-(2-ethoxyphenyl)-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carboxamide

D276-0702 Screening compound: N-(2-ethoxyphenyl)-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carboxamide
D276-0702 Screening compound: N-(2-ethoxyphenyl)-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D276-0702
N-(2-ethoxyphenyl)-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carboxamide

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

D276-0702

Molecular Formula

C25H26N2O4S (C25 H26 N2 O4 S)

Compound Name

N-(2-ethoxyphenyl)-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-46-dimethylpyridine-3-carboxamide

SMILES

CCOc(cccc1)c1NC(c1c(C)cc(C)nc1SCC(c1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C25H26N2O4S/c1-5-31-22-12-7-6-11-20(22)27-24(29)23-16(2)13-17(3)26-25(23)32-15-21(28)18-9-8-10-19(14-18)30-4/h6-14H,5,15H2,1-4H3,(H,27,29)

InChI Key

PDFYYMBYKJKPLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.342

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.30

Polar Surface Area

58.915

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D276-0702 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D276-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D276-0702?
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What is the minimum amount of D276-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D276-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D276-0702
  • 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 D276-0702 available by request