V018-7083 Screening compound: ethyl 4-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V018-7083 Screening compound: ethyl 4-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V018-7083 Screening compound: ethyl 4-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7083
ethyl 4-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-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

V018-7083

Molecular Formula

C22H29FN4O3 (C22 H29 FN4 O3)

Compound Name

ethyl 4-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1F)N1)=C(CN2CCN(C)CC2)N(CC=C)C1=O)=O

InChI

InChI=1S/C22H29FN4O3/c1-4-10-27-18(15-26-13-11-25(3)12-14-26)19(21(28)30-5-2)20(24-22(27)29)16-6-8-17(23)9-7-16/h4,6-9,20H,1,5,10-15H2,2-3H3,(H,24,29)/t20-/m0/s1

InChI Key

YZWIBYSTWNRNEZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19814394

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

0.296

Water Solubility, LogSw

-2.64

Polar Surface Area

56.212

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V018-7083 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V018-7083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7083?
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What is the minimum amount of V018-7083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7083
  • 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 V018-7083 available by request