0678-0007 Screening compound: cyclohexyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

0678-0007 Screening compound: cyclohexyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
0678-0007 Screening compound: cyclohexyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0678-0007
cyclohexyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-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

0678-0007

Molecular Formula

C25H28N2O4 (C25 H28 N2 O4)

Compound Name

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

IUPAC name

cyclohexyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cc2)ccc2OCc2ccccc2)=O)=C1C(OC1CCCCC1)=O

InChI

InChI=1S/C25H28N2O4/c1-17-22(24(28)31-21-10-6-3-7-11-21)23(27-25(29)26-17)19-12-14-20(15-13-19)30-16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,21,23H,3,6-7,10-11,16H2,1H3,(H2,26,27,29)/t23-/m1/s1

InChI Key

BEDYOAPLRDMXJP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD00330991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.367

Water Solubility, LogSw

-4.47

Polar Surface Area

63.003

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

0678-0007 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 0678-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0678-0007?
Check Price and Availability of 0678-0007, 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 0678-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0678-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0678-0007
  • 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 0678-0007 available by request