V004-2208 Screening compound: 4-[4-(4-ethylbenzoyl)piperazin-1-yl]-2,6-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine

V004-2208 Screening compound: 4-[4-(4-ethylbenzoyl)piperazin-1-yl]-2,6-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine
V004-2208 Screening compound: 4-[4-(4-ethylbenzoyl)piperazin-1-yl]-2,6-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2208
4-[4-(4-ethylbenzoyl)piperazin-1-yl]-2,6-dimethyl-5-{[3-(trifluoromethyl)phenyl]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

V004-2208

Molecular Formula

C27H29F3N4O (C27 H29 F3 N4 O)

Compound Name

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

IUPAC name

4-[4-(4-ethylbenzoyl)piperazin-1-yl]-26-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine

SMILES

CCc(cc1)ccc1C(N(CC1)CCN1c1c(Cc2cccc(C(F)(F)F)c2)c(C)nc(C)n1)=O

InChI

InChI=1S/C27H29F3N4O/c1-4-20-8-10-22(11-9-20)26(35)34-14-12-33(13-15-34)25-24(18(2)31-19(3)32-25)17-21-6-5-7-23(16-21)27(28,29)30/h5-11,16H,4,12-15,17H2,1-3H3

InChI Key

NPUMHBABOYWREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850403

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.55

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

5.827

Distribution Coefficient, logD

5.738

Water Solubility, LogSw

-5.62

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

References: we are preparing a list of scientific research reports with V004-2208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2208?
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What is the minimum amount of V004-2208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2208
  • 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 V004-2208 available by request