8015-7953 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[4-(2-cyanoethyl)piperazino]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8015-7953 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[4-(2-cyanoethyl)piperazino]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8015-7953 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[4-(2-cyanoethyl)piperazino]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7953
ethyl 4-(4-chlorophenyl)-6-{[4-(2-cyanoethyl)piperazino]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

8015-7953

Molecular Formula

C21H26ClN5O3 (C21 H26 ClN5 O3)

Compound Name

ethyl 4-(4-chlorophenyl)-6-{[4-(2-cyanoethyl)piperazino]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1Cl)N1)=C(CN2CCN(CCC#N)CC2)NC1=O)=O

InChI

InChI=1S/C21H26ClN5O3/c1-2-30-20(28)18-17(14-27-12-10-26(11-13-27)9-3-8-23)24-21(29)25-19(18)15-4-6-16(22)7-5-15/h4-7,19H,2-3,9-14H2,1H3,(H2,24,25,29)/t19-/m0/s1

InChI Key

IRVQBFFDIRCLON-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05258440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.198

Distribution Coefficient, logD

1.198

Water Solubility, LogSw

-2.93

Polar Surface Area

82.067

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

8015-7953 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8015-7953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7953?
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What is the minimum amount of 8015-7953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7953
  • 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 8015-7953 available by request