V021-6739 Screening compound: ethyl 4-[4-(4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate

V021-6739 Screening compound: ethyl 4-[4-(4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate
V021-6739 Screening compound: ethyl 4-[4-(4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6739
ethyl 4-[4-(4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate

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

V021-6739

Molecular Formula

C27H38N6O4 (C27 H38 N6 O4)

Compound Name

ethyl 4-[4-(4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate

IUPAC name

ethyl 4-[4-(4-{[4-(25-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-16-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate

SMILES

CCOC(CCC(N(CC1)CCN1C(N1)=NC(CN(CC2)CCN2c2c(C)ccc(C)c2)=CC1=O)=O)=O

InChI

InChI=1S/C27H38N6O4/c1-4-37-26(36)8-7-25(35)32-13-15-33(16-14-32)27-28-22(18-24(34)29-27)19-30-9-11-31(12-10-30)23-17-20(2)5-6-21(23)3/h5-6,17-18H,4,7-16,19H2,1-3H3,(H,28,29,34)

InChI Key

ZYNWWFCOBJNZCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19859941

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.101

Distribution Coefficient, logD

-0.106

Water Solubility, LogSw

-2.76

Polar Surface Area

81.414

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

V021-6739 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Integrin Receptors Targeted library (1715 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with V021-6739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6739?
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What is the minimum amount of V021-6739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6739
  • 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 V021-6739 available by request