C561-2876 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C561-2876 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C561-2876 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2876
ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]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

C561-2876

Molecular Formula

C26H31FN4O5 (C26 H31 FN4 O5)

Compound Name

ethyl 4-(2,3-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(23-dimethoxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1)=C(CN(CC2)CCN2c(cc2)ccc2F)NC1=O)=O

InChI

InChI=1S/C26H31FN4O5/c1-4-36-25(32)22-20(16-30-12-14-31(15-13-30)18-10-8-17(27)9-11-18)28-26(33)29-23(22)19-6-5-7-21(34-2)24(19)35-3/h5-11,23H,4,12-16H2,1-3H3,(H2,28,29,33)/t23-/m1/s1

InChI Key

ODTGVWCUYVWDGB-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14771779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.28

Polar Surface Area

79.393

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

C561-2876 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 C561-2876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2876?
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What is the minimum amount of C561-2876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2876
  • 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 C561-2876 available by request