8017-8212 Screening compound: methyl 3-[2-(2,4-dichlorophenyl)-5,5-dimethyl-4,6-dioxotetrahydro-2H-pyran-3-yl]propanoate

8017-8212 Screening compound: methyl 3-[2-(2,4-dichlorophenyl)-5,5-dimethyl-4,6-dioxotetrahydro-2H-pyran-3-yl]propanoate
8017-8212 Screening compound: methyl 3-[2-(2,4-dichlorophenyl)-5,5-dimethyl-4,6-dioxotetrahydro-2H-pyran-3-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8212
methyl 3-[2-(2,4-dichlorophenyl)-5,5-dimethyl-4,6-dioxotetrahydro-2H-pyran-3-yl]propanoate

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

8017-8212

Molecular Formula

C17H18Cl2O5 (C17 H18 Cl2 O5)

Compound Name

methyl 3-[2-(2,4-dichlorophenyl)-5,5-dimethyl-4,6-dioxotetrahydro-2H-pyran-3-yl]propanoate

IUPAC name

methyl 3-[2-(24-dichlorophenyl)-55-dimethyl-46-dioxooxan-3-yl]propanoate

SMILES

CC(C)(C(C(CCC(OC)=O)C(c(ccc(Cl)c1)c1Cl)O1)=O)C1=O

InChI

InChI=1S/C17H18Cl2O5/c1-17(2)15(21)11(6-7-13(20)23-3)14(24-16(17)22)10-5-4-9(18)8-12(10)19/h4-5,8,11,14H,6-7H2,1-3H3

InChI Key

UNICYROSBMSQCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-4.22

Polar Surface Area

55.404

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with 8017-8212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8212?
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What is the minimum amount of 8017-8212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8212
  • 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 8017-8212 available by request