V003-9621 Screening compound: 2-{4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl}-4-(3,4,5-trimethoxyphenyl)pyrimidine

V003-9621 Screening compound: 2-{4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl}-4-(3,4,5-trimethoxyphenyl)pyrimidine
V003-9621 Screening compound: 2-{4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl}-4-(3,4,5-trimethoxyphenyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9621
2-{4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl}-4-(3,4,5-trimethoxyphenyl)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

V003-9621

Molecular Formula

C25H25F3N4O5 (C25 H25 F3 N4 O5)

Compound Name

2-{4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl}-4-(3,4,5-trimethoxyphenyl)pyrimidine

IUPAC name

2-{4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl}-4-(345-trimethoxyphenyl)pyrimidine

SMILES

COc1cc(-c2ccnc(N(CC3)CCN3C(c(cccc3)c3OC(F)(F)F)=O)n2)cc(OC)c1OC

InChI

InChI=1S/C25H25F3N4O5/c1-34-20-14-16(15-21(35-2)22(20)36-3)18-8-9-29-24(30-18)32-12-10-31(11-13-32)23(33)17-6-4-5-7-19(17)37-25(26,27)28/h4-9,14-15H,10-13H2,1-3H3

InChI Key

ZDVJZRBNSWJKFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943771

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.48

Polar Surface Area

66.807

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V003-9621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9621?
Check Price and Availability of V003-9621, 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 V003-9621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9621
  • 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 V003-9621 available by request