5198-8130 Screening compound: 3,5-dimethyl 4-(3,4-dimethoxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

5198-8130 Screening compound: 3,5-dimethyl 4-(3,4-dimethoxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
5198-8130 Screening compound: 3,5-dimethyl 4-(3,4-dimethoxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5198-8130
3,5-dimethyl 4-(3,4-dimethoxyphenyl)-1-[(oxolan-2-yl)methyl]-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

5198-8130

Molecular Formula

C22H27NO7 (C22 H27 NO7)

Compound Name

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

IUPAC name

35-dimethyl 4-(34-dimethoxyphenyl)-1-[(oxolan-2-yl)methyl]-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c(cc2)cc(OC)c2OC)=CN(CC2OCCC2)C=C1C(OC)=O)=O

InChI

InChI=1S/C22H27NO7/c1-26-18-8-7-14(10-19(18)27-2)20-16(21(24)28-3)12-23(11-15-6-5-9-30-15)13-17(20)22(25)29-4/h7-8,10,12-13,15,20H,5-6,9,11H2,1-4H3/t15-/m1/s1

InChI Key

VDDQSIHHCRCFPL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03489315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.782

Distribution Coefficient, logD

1.782

Water Solubility, LogSw

-2.08

Polar Surface Area

69.192

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 5198-8130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5198-8130?
Check Price and Availability of 5198-8130, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5198-8130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5198-8130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5198-8130
  • 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 5198-8130 available by request