V027-9415 Screening compound: 1-{4-[6-(2-chloro-5-methylphenoxy)-4-pyrimidinyl]-2-methylpiperazino}-2-phenoxy-1-ethanone

V027-9415 Screening compound: 1-{4-[6-(2-chloro-5-methylphenoxy)-4-pyrimidinyl]-2-methylpiperazino}-2-phenoxy-1-ethanone
V027-9415 Screening compound: 1-{4-[6-(2-chloro-5-methylphenoxy)-4-pyrimidinyl]-2-methylpiperazino}-2-phenoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9415
1-{4-[6-(2-chloro-5-methylphenoxy)-4-pyrimidinyl]-2-methylpiperazino}-2-phenoxy-1-ethanone

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

V027-9415

Molecular Formula

C24H25ClN4O3 (C24 H25 ClN4 O3)

Compound Name

1-{4-[6-(2-chloro-5-methylphenoxy)-4-pyrimidinyl]-2-methylpiperazino}-2-phenoxy-1-ethanone

IUPAC name

1-{4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-phenoxyethan-1-one

SMILES

CC(CN(CC1)c2cc(Oc(cc(C)cc3)c3Cl)ncn2)N1C(COc1ccccc1)=O

InChI

InChI=1S/C24H25ClN4O3/c1-17-8-9-20(25)21(12-17)32-23-13-22(26-16-27-23)28-10-11-29(18(2)14-28)24(30)15-31-19-6-4-3-5-7-19/h3-9,12-13,16,18H,10-11,14-15H2,1-2H3/t18-/m0/s1

InChI Key

ZIIXZECNJREFAN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19861216

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-4.56

Polar Surface Area

52.345

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

V027-9415 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V027-9415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9415?
Check Price and Availability of V027-9415, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V027-9415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9415
  • 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 V027-9415 available by request