4886-7641 Screening compound: 3,5-dimethyl 4-(thiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

4886-7641 Screening compound: 3,5-dimethyl 4-(thiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
4886-7641 Screening compound: 3,5-dimethyl 4-(thiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4886-7641
3,5-dimethyl 4-(thiophen-3-yl)-1-[3-(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

4886-7641

Molecular Formula

C20H16F3NO4S (C20 H16 F3 NO4 S)

Compound Name

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

IUPAC name

35-dimethyl 4-(thiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C(c1cscc1)C(C(OC)=O)=C1)=CN1c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C20H16F3NO4S/c1-27-18(25)15-9-24(14-5-3-4-13(8-14)20(21,22)23)10-16(19(26)28-2)17(15)12-6-7-29-11-12/h3-11,17H,1-2H3

InChI Key

XKFILWZWRDDADV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.41

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

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.42

Polar Surface Area

46.015

Acid Dissociation Constant (pKa)

30.90

Base Dissociation Constant (pKb)

-7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4886-7641 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4886-7641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4886-7641?
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What is the minimum amount of 4886-7641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4886-7641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4886-7641
  • 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 4886-7641 available by request