L914-0261 Screening compound: 3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

L914-0261 Screening compound: 3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
L914-0261 Screening compound: 3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L914-0261
3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-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

L914-0261

Molecular Formula

C21H20N4O7 (C21 H20 N4 O7)

Compound Name

3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[(2-oxo-23-dihydro-13-benzoxazol-3-yl)methyl]-N-[(345-trimethoxyphenyl)methyl]-124-oxadiazole-5-carboxamide

SMILES

COc1cc(CNC(c2nc(CN(c(cccc3)c3O3)C3=O)no2)=O)cc(OC)c1OC

InChI

InChI=1S/C21H20N4O7/c1-28-15-8-12(9-16(29-2)18(15)30-3)10-22-19(26)20-23-17(24-32-20)11-25-13-6-4-5-7-14(13)31-21(25)27/h4-9H,10-11H2,1-3H3,(H,22,26)

InChI Key

KCBYFWBNRPWXBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27486277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

1.936

Water Solubility, LogSw

-2.80

Polar Surface Area

103.398

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L914-0261 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L914-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L914-0261?
Check Price and Availability of L914-0261, 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 L914-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L914-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L914-0261
  • 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 L914-0261 available by request