V002-4801 Screening compound: N-[(oxolan-2-yl)methyl]-2-({[(3-phenoxyphenyl)methyl](1-phenylethyl)amino}methyl)-1,3-oxazole-4-carboxamide

V002-4801 Screening compound: N-[(oxolan-2-yl)methyl]-2-({[(3-phenoxyphenyl)methyl](1-phenylethyl)amino}methyl)-1,3-oxazole-4-carboxamide
V002-4801 Screening compound: N-[(oxolan-2-yl)methyl]-2-({[(3-phenoxyphenyl)methyl](1-phenylethyl)amino}methyl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4801
N-[(oxolan-2-yl)methyl]-2-({[(3-phenoxyphenyl)methyl](1-phenylethyl)amino}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

V002-4801

Molecular Formula

C31H33N3O4 (C31 H33 N3 O4)

Compound Name

N-[(oxolan-2-yl)methyl]-2-({[(3-phenoxyphenyl)methyl](1-phenylethyl)amino}methyl)-1,3-oxazole-4-carboxamide

IUPAC name

N-[(oxolan-2-yl)methyl]-2-({[(3-phenoxyphenyl)methyl](1-phenylethyl)amino}methyl)-13-oxazole-4-carboxamide

SMILES

CC(c1ccccc1)N(Cc1nc(C(NCC2OCCC2)=O)co1)Cc1cc(Oc2ccccc2)ccc1

InChI

InChI=1S/C31H33N3O4/c1-23(25-11-4-2-5-12-25)34(20-24-10-8-15-27(18-24)38-26-13-6-3-7-14-26)21-30-33-29(22-37-30)31(35)32-19-28-16-9-17-36-28/h2-8,10-15,18,22-23,28H,9,16-17,19-21H2,1H3,(H,32,35)

InChI Key

TVUSPWYSHXGPKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838840

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.061

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-4.68

Polar Surface Area

61.156

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.00

V002-4801 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V002-4801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4801?
Check Price and Availability of V002-4801, 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 V002-4801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4801
  • 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 V002-4801 available by request