V029-2945 Screening compound: 4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide

V029-2945 Screening compound: 4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
V029-2945 Screening compound: 4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2945
4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide

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

V029-2945

Molecular Formula

C22H27ClFN5O2 (C22 H27 ClFN5 O2)

Compound Name

4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide

IUPAC name

4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide

SMILES

CC(CN(CC1)c2cc(Oc(cc3)cc(Cl)c3F)ncn2)N1C(NC1CCCCC1)=O

InChI

InChI=1S/C22H27ClFN5O2/c1-15-13-28(9-10-29(15)22(30)27-16-5-3-2-4-6-16)20-12-21(26-14-25-20)31-17-7-8-19(24)18(23)11-17/h7-8,11-12,14-16H,2-6,9-10,13H2,1H3,(H,27,30)/t15-/m0/s1

InChI Key

FXFBUQNKOODNMH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19861250

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-5.05

Polar Surface Area

55.155

Acid Dissociation Constant (pKa)

17.43

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V029-2945 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V029-2945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2945?
Check Price and Availability of V029-2945, 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 V029-2945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2945
  • 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 V029-2945 available by request