D140-0049 Screening compound: propan-2-yl 2-{[4-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)-1,1,1-trifluoro-4-oxobutan-2-yl]sulfanyl}acetate

D140-0049 Screening compound: propan-2-yl 2-{[4-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)-1,1,1-trifluoro-4-oxobutan-2-yl]sulfanyl}acetate
D140-0049 Screening compound: propan-2-yl 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 D140-0049
propan-2-yl 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

D140-0049

Molecular Formula

C16H20F3NO4S (C16 H20 F3 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(CSC(CC(C1=C(C)C=C(C)NC1=O)=O)C(F)(F)F)=O

InChI

InChI=1S/C16H20F3NO4S/c1-8(2)24-13(22)7-25-12(16(17,18)19)6-11(21)14-9(3)5-10(4)20-15(14)23/h5,8,12H,6-7H2,1-4H3,(H,20,23)/t12-/m0/s1

InChI Key

SJEDKHKVQGGCTJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14812358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-3.23

Polar Surface Area

58.056

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with D140-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D140-0049?
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What is the minimum amount of D140-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D140-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D140-0049
  • 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 D140-0049 available by request