6049-0114 Screening compound: methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate

6049-0114 Screening compound: methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
6049-0114 Screening compound: methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0114
methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate

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

6049-0114

Molecular Formula

C24H22ClFN2O4 (C24 H22 ClFN2 O4)

Compound Name

methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate

IUPAC name

methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-24-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate

SMILES

Cc1c(COc(ccc(F)c2)c2Cl)cc(C2C(C#N)=C(N)OC(C)=C2C(OC)=O)c(C)c1

InChI

InChI=1S/C24H22ClFN2O4/c1-12-7-13(2)17(8-15(12)11-31-20-6-5-16(26)9-19(20)25)22-18(10-27)23(28)32-14(3)21(22)24(29)30-4/h5-9,22H,11,28H2,1-4H3/t22-/m1/s1

InChI Key

LFNMBDADGQBTGJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03312611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.681

Water Solubility, LogSw

-4.82

Polar Surface Area

75.181

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6049-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0114?
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What is the minimum amount of 6049-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0114
  • 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 6049-0114 available by request