D140-0047 Screening compound: methyl 2-{[4-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)-1,1,1-trifluoro-4-oxobutan-2-yl]sulfanyl}acetate

D140-0047 Screening compound: methyl 2-{[4-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)-1,1,1-trifluoro-4-oxobutan-2-yl]sulfanyl}acetate
D140-0047 Screening compound: methyl 2-{[4-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)-1,1,1-trifluoro-4-oxobutan-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D140-0047
methyl 2-{[4-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)-1,1,1-trifluoro-4-oxobutan-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

D140-0047

Molecular Formula

C14H16F3NO4S (C14 H16 F3 NO4 S)

Compound Name

methyl 2-{[4-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)-1,1,1-trifluoro-4-oxobutan-2-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[4-(46-dimethyl-2-oxo-12-dihydropyridin-3-yl)-111-trifluoro-4-oxobutan-2-yl]sulfanyl}acetate

SMILES

CC(C=C(C)N1)=C(C(CC(C(F)(F)F)SCC(OC)=O)=O)C1=O

InChI

InChI=1S/C14H16F3NO4S/c1-7-4-8(2)18-13(21)12(7)9(19)5-10(14(15,16)17)23-6-11(20)22-3/h4,10H,5-6H2,1-3H3,(H,18,21)/t10-/m0/s1

InChI Key

QHIZLVAKZZTUBT-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14812357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

0.810

Water Solubility, LogSw

-2.50

Polar Surface Area

58.798

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D140-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D140-0047?
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What is the minimum amount of D140-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D140-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D140-0047
  • 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 D140-0047 available by request