8019-0811 Screening compound: dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate

8019-0811 Screening compound: dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate
8019-0811 Screening compound: dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0811
dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate

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

8019-0811

Molecular Formula

C11H17F6N4O4P (C11 H17 F6 N4 O4 P)

Compound Name

dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate

IUPAC name

dimethyl (2-{[6-oxo-44-bis(trifluoromethyl)-1456-tetrahydro-135-triazin-2-yl]amino}butan-2-yl)phosphonate

SMILES

CCC(C)(NC(N1)=NC(C(F)(F)F)(C(F)(F)F)NC1=O)P(OC)(OC)=O

InChI

InChI=1S/C11H17F6N4O4P/c1-5-8(2,26(23,24-3)25-4)19-6-18-7(22)21-9(20-6,10(12,13)14)11(15,16)17/h5H2,1-4H3,(H3,18,19,20,21,22)/t8-/m0/s1

InChI Key

VFDIIVCPKAHAKQ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD09064069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.803

Distribution Coefficient, logD

-3.098

Water Solubility, LogSw

-1.99

Polar Surface Area

86.581

Acid Dissociation Constant (pKa)

3.98

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.80

References: we are preparing a list of scientific research reports with 8019-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0811?
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What is the minimum amount of 8019-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0811
  • 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 8019-0811 available by request