L574-0454 Screening compound: methyl 5-(2-{[(3-phenylpropyl)amino]carbonyl}phenyl)-1,3-oxazole-4-carboxylate

L574-0454 Screening compound: methyl 5-(2-{[(3-phenylpropyl)amino]carbonyl}phenyl)-1,3-oxazole-4-carboxylate
L574-0454 Screening compound: methyl 5-(2-{[(3-phenylpropyl)amino]carbonyl}phenyl)-1,3-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L574-0454
methyl 5-(2-{[(3-phenylpropyl)amino]carbonyl}phenyl)-1,3-oxazole-4-carboxylate

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

L574-0454

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

methyl 5-(2-{[(3-phenylpropyl)amino]carbonyl}phenyl)-1,3-oxazole-4-carboxylate

IUPAC name

methyl 5-{2-[(3-phenylpropyl)carbamoyl]phenyl}-13-oxazole-4-carboxylate

SMILES

COC(c1c(-c(cccc2)c2C(NCCCc2ccccc2)=O)ocn1)=O

InChI

InChI=1S/C21H20N2O4/c1-26-21(25)18-19(27-14-23-18)16-11-5-6-12-17(16)20(24)22-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,22,24)

InChI Key

XNFVWCHPLAHZKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.80

Polar Surface Area

64.503

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

L574-0454 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L574-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L574-0454?
Check Price and Availability of L574-0454, 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 L574-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L574-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L574-0454
  • 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 L574-0454 available by request