V002-1317 Screening compound: 4-{4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}-2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidine

V002-1317 Screening compound: 4-{4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}-2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidine
V002-1317 Screening compound: 4-{4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}-2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1317
4-{4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}-2,6-dimethyl-5-[(3-methylphenyl)methyl]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

V002-1317

Molecular Formula

C27H26F6N4O (C27 H26 F6 N4 O)

Compound Name

4-{4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl}-2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidine

IUPAC name

4-{4-[35-bis(trifluoromethyl)benzoyl]piperazin-1-yl}-26-dimethyl-5-[(3-methylphenyl)methyl]pyrimidine

SMILES

Cc1cccc(Cc2c(C)nc(C)nc2N(CC2)CCN2C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=O)c1

InChI

InChI=1S/C27H26F6N4O/c1-16-5-4-6-19(11-16)12-23-17(2)34-18(3)35-24(23)36-7-9-37(10-8-36)25(38)20-13-21(26(28,29)30)15-22(14-20)27(31,32)33/h4-6,11,13-15H,7-10,12H2,1-3H3

InChI Key

HXPLRZPHJFZUPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850437

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.494

Distribution Coefficient, logD

6.405

Water Solubility, LogSw

-5.73

Polar Surface Area

38.569

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V002-1317 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V002-1317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1317?
Check Price and Availability of V002-1317, 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 V002-1317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1317
  • 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 V002-1317 available by request