8010-0900 Screening compound: benzyl 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8010-0900 Screening compound: benzyl 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8010-0900 Screening compound: benzyl 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0900
benzyl 1,6-dimethyl-2-oxo-4-[4-(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

8010-0900

Molecular Formula

C21H19F3N2O3 (C21 H19 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C)C(NC1c2ccc(C(F)(F)F)cc2)=O)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C21H19F3N2O3/c1-13-17(19(27)29-12-14-6-4-3-5-7-14)18(25-20(28)26(13)2)15-8-10-16(11-9-15)21(22,23)24/h3-11,18H,12H2,1-2H3,(H,25,28)/t18-/m0/s1

InChI Key

YUMFTZHJGSEWGV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01823649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-4.14

Polar Surface Area

48.533

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

8010-0900 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-0900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0900?
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What is the minimum amount of 8010-0900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0900
  • 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 8010-0900 available by request