8019-1604 Screening compound: methyl 4-[(diethoxyphosphoryl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

8019-1604 Screening compound: methyl 4-[(diethoxyphosphoryl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
8019-1604 Screening compound: methyl 4-[(diethoxyphosphoryl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1604
methyl 4-[(diethoxyphosphoryl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-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

8019-1604

Molecular Formula

C12H18F3N2O6P (C12 H18 F3 N2 O6 P)

Compound Name

methyl 4-[(diethoxyphosphoryl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl 4-[(diethoxyphosphoryl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOP(NC(C(F)(F)F)(C(C(OC)=O)=C(C)N1)C1=O)(OCC)=O

InChI

InChI=1S/C12H18F3N2O6P/c1-5-22-24(20,23-6-2)17-11(12(13,14)15)8(9(18)21-4)7(3)16-10(11)19/h5-6H2,1-4H3,(H,16,19)(H,17,20)/t11-/m0/s1

InChI Key

BGNIUOFCUGLIBP-NSHDSACASA-N

MDL Number (MFCD)

MFCD09064192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.25

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.913

Distribution Coefficient, logD

-0.607

Water Solubility, LogSw

-1.38

Polar Surface Area

88.496

Acid Dissociation Constant (pKa)

5.89

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 8019-1604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1604?
Check Price and Availability of 8019-1604, 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 8019-1604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1604
  • 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 8019-1604 available by request