2936-4721 Screening compound: cyclooctyl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

2936-4721 Screening compound: cyclooctyl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
2936-4721 Screening compound: cyclooctyl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2936-4721
cyclooctyl 4-(4-ethylphenyl)-6-methyl-2-oxo-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

2936-4721

Molecular Formula

C22H30N2O3 (C22 H30 N2 O3)

Compound Name

cyclooctyl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

cyclooctyl 4-(4-ethylphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCc1ccc(C(C(C(OC2CCCCCCC2)=O)=C(C)N2)NC2=O)cc1

InChI

InChI=1S/C22H30N2O3/c1-3-16-11-13-17(14-12-16)20-19(15(2)23-22(26)24-20)21(25)27-18-9-7-5-4-6-8-10-18/h11-14,18,20H,3-10H2,1-2H3,(H2,23,24,26)/t20-/m1/s1

InChI Key

KBGCNKILBHPGEN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01193253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.025

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-4.58

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

54.54

2936-4721 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 2936-4721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2936-4721?
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What is the minimum amount of 2936-4721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2936-4721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2936-4721
  • 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 2936-4721 available by request