8013-1278 Screening compound: 3,5-dimethyl 4-(3-fluorophenyl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

8013-1278 Screening compound: 3,5-dimethyl 4-(3-fluorophenyl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
8013-1278 Screening compound: 3,5-dimethyl 4-(3-fluorophenyl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1278
3,5-dimethyl 4-(3-fluorophenyl)-1-[(thiophen-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

8013-1278

Molecular Formula

C20H18FNO4S (C20 H18 FNO4 S)

Compound Name

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

IUPAC name

35-dimethyl 4-(3-fluorophenyl)-1-[(thiophen-2-yl)methyl]-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cc(F)ccc2)=CN(Cc2cccs2)C=C1C(OC)=O)=O

InChI

InChI=1S/C20H18FNO4S/c1-25-19(23)16-11-22(10-15-7-4-8-27-15)12-17(20(24)26-2)18(16)13-5-3-6-14(21)9-13/h3-9,11-12,18H,10H2,1-2H3

InChI Key

JCTDKGHFEGGSEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.68

Polar Surface Area

46.295

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8013-1278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1278?
Check Price and Availability of 8013-1278, 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 8013-1278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1278
  • 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 8013-1278 available by request