V022-5008 Screening compound: 2-({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide

V022-5008 Screening compound: 2-({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide
V022-5008 Screening compound: 2-({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5008
2-({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-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

V022-5008

Molecular Formula

C28H33F3N4O2 (C28 H33 F3 N4 O2)

Compound Name

2-({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide

IUPAC name

2-({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-13-oxazole-4-carboxamide

SMILES

CC(C)(C)c1ccc(CN2CCN(Cc3nc(C(NCc4cccc(C(F)(F)F)c4)=O)co3)CC2)cc1

InChI

InChI=1S/C28H33F3N4O2/c1-27(2,3)22-9-7-20(8-10-22)17-34-11-13-35(14-12-34)18-25-33-24(19-37-25)26(36)32-16-21-5-4-6-23(15-21)28(29,30)31/h4-10,15,19H,11-14,16-18H2,1-3H3,(H,32,36)

InChI Key

CWEUPVGXQQQARR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19909651

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.012

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.69

Polar Surface Area

50.331

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with V022-5008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5008?
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What is the minimum amount of V022-5008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5008
  • 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 V022-5008 available by request