C561-2740 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C561-2740 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C561-2740 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2740
ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-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

C561-2740

Molecular Formula

C26H32N4O5 (C26 H32 N4 O5)

Compound Name

ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(23-dimethoxyphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1)=C(CN(CC2)CCN2c2ccccc2)NC1=O)=O

InChI

InChI=1S/C26H32N4O5/c1-4-35-25(31)22-20(17-29-13-15-30(16-14-29)18-9-6-5-7-10-18)27-26(32)28-23(22)19-11-8-12-21(33-2)24(19)34-3/h5-12,23H,4,13-17H2,1-3H3,(H2,27,28,32)/t23-/m1/s1

InChI Key

XMAPUKLQQOIRAD-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14771677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

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

2.728

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-3.08

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

C561-2740 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 C561-2740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2740?
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What is the minimum amount of C561-2740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2740
  • 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 C561-2740 available by request