V026-5844 Screening compound: ethyl 6-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V026-5844 Screening compound: ethyl 6-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V026-5844 Screening compound: ethyl 6-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5844
ethyl 6-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-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

V026-5844

Molecular Formula

C33H35ClN4O5 (C33 H35 ClN4 O5)

Compound Name

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

IUPAC name

ethyl 6-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CC1)CCN1C(c(cc1)ccc1Cl)=O)=C(C(c1cc(Oc2ccccc2)ccc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C33H35ClN4O5/c1-3-38-28(22-36-17-19-37(20-18-36)31(39)23-13-15-25(34)16-14-23)29(32(40)42-4-2)30(35-33(38)41)24-9-8-12-27(21-24)43-26-10-6-5-7-11-26/h5-16,21,30H,3-4,17-20,22H2,1-2H3,(H,35,41)/t30-/m1/s1

InChI Key

MKYLWLCJBPCNSX-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD19809535

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

603.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.135

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-5.75

Polar Surface Area

75.686

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.30

V026-5844 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V026-5844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5844?
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What is the minimum amount of V026-5844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5844
  • 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 V026-5844 available by request