D276-0048 Screening compound: ethyl 2-{[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate

D276-0048 Screening compound: ethyl 2-{[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
D276-0048 Screening compound: ethyl 2-{[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D276-0048
ethyl 2-{[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate

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

D276-0048

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

ethyl 2-{[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[46-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate

SMILES

CCOC(CSc1nc(C)cc(C)c1C(Nc1ccccc1)=O)=O

InChI

InChI=1S/C18H20N2O3S/c1-4-23-15(21)11-24-18-16(12(2)10-13(3)19-18)17(22)20-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,20,22)

InChI Key

OIXFXULQOTYRTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09501534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.564

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.91

Polar Surface Area

52.042

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D276-0048 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D276-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D276-0048?
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What is the minimum amount of D276-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D276-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D276-0048
  • 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 D276-0048 available by request