2191-2778 Screening compound: cyclohexyl 4-(2-chlorophenyl)-1-ethyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2191-2778 Screening compound: cyclohexyl 4-(2-chlorophenyl)-1-ethyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2191-2778 Screening compound: cyclohexyl 4-(2-chlorophenyl)-1-ethyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2191-2778
cyclohexyl 4-(2-chlorophenyl)-1-ethyl-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

2191-2778

Molecular Formula

C20H25ClN2O3 (C20 H25 ClN2 O3)

Compound Name

cyclohexyl 4-(2-chlorophenyl)-1-ethyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

cyclohexyl 4-(2-chlorophenyl)-1-ethyl-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c(cccc1)c1Cl)N1)C(OC2CCCCC2)=O)C1=O

InChI

InChI=1S/C20H25ClN2O3/c1-3-23-13(2)17(19(24)26-14-9-5-4-6-10-14)18(22-20(23)25)15-11-7-8-12-16(15)21/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3,(H,22,25)/t18-/m0/s1

InChI Key

UEZLBNYNGDMRSS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01306167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.73

Polar Surface Area

47.718

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

2191-2778 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2191-2778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2191-2778?
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What is the minimum amount of 2191-2778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2191-2778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2191-2778
  • 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 2191-2778 available by request