0788-0259 Screening compound: cycloheptyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

0788-0259 Screening compound: cycloheptyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
0788-0259 Screening compound: cycloheptyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0788-0259
cycloheptyl 6-methyl-2-oxo-4-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

0788-0259

Molecular Formula

C19H24N2O3 (C19 H24 N2 O3)

Compound Name

cycloheptyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

cycloheptyl 6-methyl-2-oxo-4-phenyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c2ccccc2)=O)=C1C(OC1CCCCCC1)=O

InChI

InChI=1S/C19H24N2O3/c1-13-16(18(22)24-15-11-7-2-3-8-12-15)17(21-19(23)20-13)14-9-5-4-6-10-14/h4-6,9-10,15,17H,2-3,7-8,11-12H2,1H3,(H2,20,21,23)/t17-/m1/s1

InChI Key

RGYCCVAXVWDEHR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00385591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-3.55

Polar Surface Area

56.106

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

0788-0259 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 0788-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0788-0259?
Check Price and Availability of 0788-0259, 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 0788-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0788-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0788-0259
  • 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 0788-0259 available by request