V004-0780 Screening compound: N-benzyl-2-{[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]formamido}-N-methyl-3-phenylpropanamide

V004-0780 Screening compound: N-benzyl-2-{[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]formamido}-N-methyl-3-phenylpropanamide
V004-0780 Screening compound: N-benzyl-2-{[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]formamido}-N-methyl-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0780
N-benzyl-2-{[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]formamido}-N-methyl-3-phenylpropanamide

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

V004-0780

Molecular Formula

C28H27N3O4 (C28 H27 N3 O4)

Compound Name

N-benzyl-2-{[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]formamido}-N-methyl-3-phenylpropanamide

IUPAC name

N-benzyl-2-{[5-(3-methoxyphenyl)-12-oxazol-3-yl]formamido}-N-methyl-3-phenylpropanamide

SMILES

CN(Cc1ccccc1)C(C(Cc1ccccc1)NC(c1noc(-c2cc(OC)ccc2)c1)=O)=O

InChI

InChI=1S/C28H27N3O4/c1-31(19-21-12-7-4-8-13-21)28(33)25(16-20-10-5-3-6-11-20)29-27(32)24-18-26(35-30-24)22-14-9-15-23(17-22)34-2/h3-15,17-18,25H,16,19H2,1-2H3,(H,29,32)/t25-/m0/s1

InChI Key

JWNVIOCSQIVHBF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19811114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

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

5.051

Distribution Coefficient, logD

5.051

Water Solubility, LogSw

-4.74

Polar Surface Area

69.512

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

V004-0780 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V004-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0780?
Check Price and Availability of V004-0780, 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 V004-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0780
  • 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 V004-0780 available by request