8012-2739 Screening compound: heptyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8012-2739 Screening compound: heptyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8012-2739 Screening compound: heptyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2739
heptyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-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

8012-2739

Molecular Formula

C20H25F3N2O4 (C20 H25 F3 N2 O4)

Compound Name

heptyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

heptyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCCCCOC(C(C(c(cc1)ccc1OC(F)(F)F)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C20H25F3N2O4/c1-3-4-5-6-7-12-28-18(26)16-13(2)24-19(27)25-17(16)14-8-10-15(11-9-14)29-20(21,22)23/h8-11,17H,3-7,12H2,1-2H3,(H2,24,25,27)/t17-/m0/s1

InChI Key

ONTXGHHHVQJMQH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02627314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

5.113

Water Solubility, LogSw

-5.04

Polar Surface Area

62.676

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8012-2739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2739?
Check Price and Availability of 8012-2739, 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 8012-2739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2739
  • 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 8012-2739 available by request