V021-0054 Screening compound: 2-{[benzyl({[4-(trifluoromethyl)phenyl]methyl})amino]methyl}-N-[(pyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide

V021-0054 Screening compound: 2-{[benzyl({[4-(trifluoromethyl)phenyl]methyl})amino]methyl}-N-[(pyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide
V021-0054 Screening compound: 2-{[benzyl({[4-(trifluoromethyl)phenyl]methyl})amino]methyl}-N-[(pyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0054
2-{[benzyl({[4-(trifluoromethyl)phenyl]methyl})amino]methyl}-N-[(pyridin-4-yl)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

V021-0054

Molecular Formula

C26H23F3N4O2 (C26 H23 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1coc(CN(Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)n1)NCc1ccncc1

InChI

InChI=1S/C26H23F3N4O2/c27-26(28,29)22-8-6-21(7-9-22)16-33(15-20-4-2-1-3-5-20)17-24-32-23(18-35-24)25(34)31-14-19-10-12-30-13-11-19/h1-13,18H,14-17H2,(H,31,34)

InChI Key

GJJRHCKSXXTUEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829368

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-4.04

Polar Surface Area

55.926

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V021-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0054?
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What is the minimum amount of V021-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0054
  • 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 V021-0054 available by request