V006-9197 Screening compound: ethyl 4-(3-fluorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V006-9197 Screening compound: ethyl 4-(3-fluorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V006-9197 Screening compound: ethyl 4-(3-fluorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9197
ethyl 4-(3-fluorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-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

V006-9197

Molecular Formula

C22H20F4N2O4 (C22 H20 F4 N2 O4)

Compound Name

ethyl 4-(3-fluorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(3-fluorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccc(F)c1)N1)=C(COc2cc(C(F)(F)F)ccc2)N(C)C1=O)=O

InChI

InChI=1S/C22H20F4N2O4/c1-3-31-20(29)18-17(12-32-16-9-5-7-14(11-16)22(24,25)26)28(2)21(30)27-19(18)13-6-4-8-15(23)10-13/h4-11,19H,3,12H2,1-2H3,(H,27,30)/t19-/m0/s1

InChI Key

ZKFGHOWKEBXPCP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19834480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.37

Polar Surface Area

56.018

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V006-9197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9197?
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What is the minimum amount of V006-9197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9197
  • 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 V006-9197 available by request