V021-6197 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-benzyl-1,3-oxazole-4-carboxamide

V021-6197 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-benzyl-1,3-oxazole-4-carboxamide
V021-6197 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-benzyl-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6197
2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-benzyl-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

V021-6197

Molecular Formula

C28H24F3N3O4 (C28 H24 F3 N3 O4)

Compound Name

2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-benzyl-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(2H-13-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-benzyl-13-oxazole-4-carboxamide

SMILES

O=C(c1coc(CN(Cc2ccc(C(F)(F)F)cc2)Cc(cc2)cc3c2OCO3)n1)NCc1ccccc1

InChI

InChI=1S/C28H24F3N3O4/c29-28(30,31)22-9-6-20(7-10-22)14-34(15-21-8-11-24-25(12-21)38-18-37-24)16-26-33-23(17-36-26)27(35)32-13-19-4-2-1-3-5-19/h1-12,17H,13-16,18H2,(H,32,35)

InChI Key

HANKAHZXOJOJJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19827178

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.047

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-5.07

Polar Surface Area

63.613

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V021-6197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6197?
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What is the minimum amount of V021-6197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6197
  • 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 V021-6197 available by request