2694-4306 Screening compound: cyclohexyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

2694-4306 Screening compound: cyclohexyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2694-4306 Screening compound: cyclohexyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2694-4306
cyclohexyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-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

2694-4306

Molecular Formula

C19H21Cl2NO3 (C19 H21 Cl2 NO3)

Compound Name

cyclohexyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

cyclohexyl 4-(23-dichlorophenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c2cccc(Cl)c2Cl)=O)=C1C(OC1CCCCC1)=O

InChI

InChI=1S/C19H21Cl2NO3/c1-11-17(19(24)25-12-6-3-2-4-7-12)14(10-16(23)22-11)13-8-5-9-15(20)18(13)21/h5,8-9,12,14H,2-4,6-7,10H2,1H3,(H,22,23)/t14-/m0/s1

InChI Key

ZSVCYSWIMFTESD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02084679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.904

Distribution Coefficient, logD

4.105

Water Solubility, LogSw

-4.77

Polar Surface Area

44.523

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

2694-4306 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2694-4306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2694-4306?
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What is the minimum amount of 2694-4306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2694-4306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2694-4306
  • 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 2694-4306 available by request