8011-3169 Screening compound: phenethyl 1,6-dimethyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8011-3169 Screening compound: phenethyl 1,6-dimethyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8011-3169 Screening compound: phenethyl 1,6-dimethyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3169
phenethyl 1,6-dimethyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

8011-3169

Molecular Formula

C22H21F3N2O3 (C22 H21 F3 N2 O3)

Compound Name

phenethyl 1,6-dimethyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

2-phenylethyl 16-dimethyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(N(C)C(NC1c2cccc(C(F)(F)F)c2)=O)=C1C(OCCc1ccccc1)=O

InChI

InChI=1S/C22H21F3N2O3/c1-14-18(20(28)30-12-11-15-7-4-3-5-8-15)19(26-21(29)27(14)2)16-9-6-10-17(13-16)22(23,24)25/h3-10,13,19H,11-12H2,1-2H3,(H,26,29)/t19-/m0/s1

InChI Key

IVAPMCFDKVMBOI-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.502

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.41

Polar Surface Area

48.451

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with 8011-3169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3169?
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What is the minimum amount of 8011-3169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3169
  • 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 8011-3169 available by request