V028-4677 Screening compound: 3-benzyl-5-[3-(isobutyrylamino)phenyl]-2-oxo-1,3-oxazolane-4-carboxylic acid

V028-4677 Screening compound: 3-benzyl-5-[3-(isobutyrylamino)phenyl]-2-oxo-1,3-oxazolane-4-carboxylic acid
V028-4677 Screening compound: 3-benzyl-5-[3-(isobutyrylamino)phenyl]-2-oxo-1,3-oxazolane-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4677
3-benzyl-5-[3-(isobutyrylamino)phenyl]-2-oxo-1,3-oxazolane-4-carboxylic acid

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

V028-4677

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

3-benzyl-5-[3-(isobutyrylamino)phenyl]-2-oxo-1,3-oxazolane-4-carboxylic acid

IUPAC name

3-benzyl-5-[3-(2-methylpropanamido)phenyl]-2-oxo-13-oxazolidine-4-carboxylic acid

SMILES

CC(C)C(Nc1cccc(C(C(C(O)=O)N2Cc3ccccc3)OC2=O)c1)=O

InChI

InChI=1S/C21H22N2O5/c1-13(2)19(24)22-16-10-6-9-15(11-16)18-17(20(25)26)23(21(27)28-18)12-14-7-4-3-5-8-14/h3-11,13,17-18H,12H2,1-2H3,(H,22,24)(H,25,26)

InChI Key

NYXDEYAKDFZSFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869898

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.392

Distribution Coefficient, logD

-0.731

Water Solubility, LogSw

-2.92

Polar Surface Area

75.938

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

V028-4677 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-4677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4677?
Check Price and Availability of V028-4677, 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 V028-4677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4677
  • 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 V028-4677 available by request