V021-0042 Screening compound: 2-({[(2,5-dimethylphenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide

V021-0042 Screening compound: 2-({[(2,5-dimethylphenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide
V021-0042 Screening compound: 2-({[(2,5-dimethylphenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0042
2-({[(2,5-dimethylphenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(furan-2-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

V021-0042

Molecular Formula

C26H26FN3O3 (C26 H26 FN3 O3)

Compound Name

2-({[(2,5-dimethylphenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(25-dimethylphenyl)methyl][(4-fluorophenyl)methyl]amino}methyl)-N-[(furan-2-yl)methyl]-13-oxazole-4-carboxamide

SMILES

Cc1cc(CN(Cc2nc(C(NCc3ccco3)=O)co2)Cc(cc2)ccc2F)c(C)cc1

InChI

InChI=1S/C26H26FN3O3/c1-18-5-6-19(2)21(12-18)15-30(14-20-7-9-22(27)10-8-20)16-25-29-24(17-33-25)26(31)28-13-23-4-3-11-32-23/h3-12,17H,13-16H2,1-2H3,(H,28,31)

InChI Key

YHZQDJRDCBVPNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829289

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.51

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

5.283

Distribution Coefficient, logD

5.283

Water Solubility, LogSw

-5.10

Polar Surface Area

54.247

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V021-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V021-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0042?
Check Price and Availability of V021-0042, 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 V021-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0042
  • 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 V021-0042 available by request