V027-5785 Screening compound: 4-(3-chloro-4-fluorophenoxy)-6-(4-cyclohexanecarbonyl-3-methylpiperazin-1-yl)pyrimidine

V027-5785 Screening compound: 4-(3-chloro-4-fluorophenoxy)-6-(4-cyclohexanecarbonyl-3-methylpiperazin-1-yl)pyrimidine
V027-5785 Screening compound: 4-(3-chloro-4-fluorophenoxy)-6-(4-cyclohexanecarbonyl-3-methylpiperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5785
4-(3-chloro-4-fluorophenoxy)-6-(4-cyclohexanecarbonyl-3-methylpiperazin-1-yl)pyrimidine

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

V027-5785

Molecular Formula

C22H26ClFN4O2 (C22 H26 ClFN4 O2)

Compound Name

4-(3-chloro-4-fluorophenoxy)-6-(4-cyclohexanecarbonyl-3-methylpiperazin-1-yl)pyrimidine

IUPAC name

4-(3-chloro-4-fluorophenoxy)-6-(4-cyclohexanecarbonyl-3-methylpiperazin-1-yl)pyrimidine

SMILES

CC(CN(CC1)c2cc(Oc(cc3)cc(Cl)c3F)ncn2)N1C(C1CCCCC1)=O

InChI

InChI=1S/C22H26ClFN4O2/c1-15-13-27(9-10-28(15)22(29)16-5-3-2-4-6-16)20-12-21(26-14-25-20)30-17-7-8-19(24)18(23)11-17/h7-8,11-12,14-16H,2-6,9-10,13H2,1H3/t15-/m0/s1

InChI Key

QJGISBOJVISZFT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19860986

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.96

Polar Surface Area

45.479

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V027-5785 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-5785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5785?
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What is the minimum amount of V027-5785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5785
  • 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 V027-5785 available by request