8013-2307 Screening compound: methyl 1-(diethoxyphosphoryl)-4-methyl-2-(trifluoromethyl)-1,2,3,6-tetrahydro-2-pyridinecarboxylate

8013-2307 Screening compound: methyl 1-(diethoxyphosphoryl)-4-methyl-2-(trifluoromethyl)-1,2,3,6-tetrahydro-2-pyridinecarboxylate
8013-2307 Screening compound: methyl 1-(diethoxyphosphoryl)-4-methyl-2-(trifluoromethyl)-1,2,3,6-tetrahydro-2-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2307
methyl 1-(diethoxyphosphoryl)-4-methyl-2-(trifluoromethyl)-1,2,3,6-tetrahydro-2-pyridinecarboxylate

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

8013-2307

Molecular Formula

C13H21F3NO5P (C13 H21 F3 NO5 P)

Compound Name

methyl 1-(diethoxyphosphoryl)-4-methyl-2-(trifluoromethyl)-1,2,3,6-tetrahydro-2-pyridinecarboxylate

IUPAC name

methyl 1-(diethoxyphosphoryl)-4-methyl-2-(trifluoromethyl)-1236-tetrahydropyridine-2-carboxylate

SMILES

CCOP(N(CC=C(C)C1)C1(C(F)(F)F)C(OC)=O)(OCC)=O

InChI

InChI=1S/C13H21F3NO5P/c1-5-21-23(19,22-6-2)17-8-7-10(3)9-12(17,11(18)20-4)13(14,15)16/h7H,5-6,8-9H2,1-4H3/t12-/m1/s1

InChI Key

DVAOTFYBOQYYTO-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03763878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.596

Distribution Coefficient, logD

2.596

Water Solubility, LogSw

-2.36

Polar Surface Area

52.923

Acid Dissociation Constant (pKa)

29.94

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.92

References: we are preparing a list of scientific research reports with 8013-2307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2307?
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What is the minimum amount of 8013-2307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2307
  • 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 8013-2307 available by request