V018-1806 Screening compound: 2-({4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide

V018-1806 Screening compound: 2-({4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide
V018-1806 Screening compound: 2-({4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1806
2-({4-[(3,5-dimethylphenyl)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

V018-1806

Molecular Formula

C26H29F3N4O2 (C26 H29 F3 N4 O2)

Compound Name

2-({4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-oxazole-4-carboxamide

IUPAC name

2-({4-[(35-dimethylphenyl)methyl]piperazin-1-yl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-13-oxazole-4-carboxamide

SMILES

Cc1cc(CN2CCN(Cc3nc(C(NCc4cccc(C(F)(F)F)c4)=O)co3)CC2)cc(C)c1

InChI

InChI=1S/C26H29F3N4O2/c1-18-10-19(2)12-21(11-18)15-32-6-8-33(9-7-32)16-24-31-23(17-35-24)25(34)30-14-20-4-3-5-22(13-20)26(27,28)29/h3-5,10-13,17H,6-9,14-16H2,1-2H3,(H,30,34)

InChI Key

YTJWJRMQLHFUAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19909657

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-4.29

Polar Surface Area

50.331

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V018-1806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1806?
Check Price and Availability of V018-1806, 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 V018-1806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1806
  • 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 V018-1806 available by request