4568-7278 Screening compound: cycloheptyl 6-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4568-7278 Screening compound: cycloheptyl 6-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4568-7278 Screening compound: cycloheptyl 6-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4568-7278
cycloheptyl 6-methyl-4-(3-methylphenyl)-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

4568-7278

Molecular Formula

C20H26N2O3 (C20 H26 N2 O3)

Compound Name

cycloheptyl 6-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

cycloheptyl 6-methyl-4-(3-methylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

Cc1cccc(C(C(C(OC2CCCCCC2)=O)=C(C)N2)NC2=O)c1

InChI

InChI=1S/C20H26N2O3/c1-13-8-7-9-15(12-13)18-17(14(2)21-20(24)22-18)19(23)25-16-10-5-3-4-6-11-16/h7-9,12,16,18H,3-6,10-11H2,1-2H3,(H2,21,22,24)/t18-/m1/s1

InChI Key

NNQHZQSDSDHIPP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03145303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

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

4.235

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.24

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

50.00

4568-7278 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 4568-7278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4568-7278?
Check Price and Availability of 4568-7278, 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 4568-7278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4568-7278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4568-7278
  • 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 4568-7278 available by request