8012-0033 Screening compound: N-(4-acetylphenyl)-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide

8012-0033 Screening compound: N-(4-acetylphenyl)-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide
8012-0033 Screening compound: N-(4-acetylphenyl)-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0033
N-(4-acetylphenyl)-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}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

8012-0033

Molecular Formula

C19H19N3O3S (C19 H19 N3 O3 S)

Compound Name

N-(4-acetylphenyl)-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-acetylphenyl)-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide

SMILES

CC(c(cc1)ccc1NC(CSc1nc(C)cc(COC)c1C#N)=O)=O

InChI

InChI=1S/C19H19N3O3S/c1-12-8-15(10-25-3)17(9-20)19(21-12)26-11-18(24)22-16-6-4-14(5-7-16)13(2)23/h4-8H,10-11H2,1-3H3,(H,22,24)

InChI Key

KAGMFNFOIJOKMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.269

Distribution Coefficient, logD

2.269

Water Solubility, LogSw

-2.82

Polar Surface Area

70.977

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 8012-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0033?
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What is the minimum amount of 8012-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0033
  • 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 8012-0033 available by request