8013-0259 Screening compound: 3,5-dimethyl 1-[(oxolan-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

8013-0259 Screening compound: 3,5-dimethyl 1-[(oxolan-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
8013-0259 Screening compound: 3,5-dimethyl 1-[(oxolan-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0259
3,5-dimethyl 1-[(oxolan-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

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

8013-0259

Molecular Formula

C21H22F3NO5 (C21 H22 F3 NO5)

Compound Name

3,5-dimethyl 1-[(oxolan-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 1-[(oxolan-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2ccc(C(F)(F)F)cc2)=CN(CC2OCCC2)C=C1C(OC)=O)=O

InChI

InChI=1S/C21H22F3NO5/c1-28-19(26)16-11-25(10-15-4-3-9-30-15)12-17(20(27)29-2)18(16)13-5-7-14(8-6-13)21(22,23)24/h5-8,11-12,15,18H,3-4,9-10H2,1-2H3/t15-/m1/s1

InChI Key

RSJGFOMRYAGZRN-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

3.000

Water Solubility, LogSw

-3.14

Polar Surface Area

53.931

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8013-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0259?
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What is the minimum amount of 8013-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0259
  • 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 8013-0259 available by request