L722-0445 Screening compound: N-[(2-methylphenyl)methyl]-6-propanamido-3,4-dihydro-2H-1-benzopyran-3-carboxamide

L722-0445 Screening compound: N-[(2-methylphenyl)methyl]-6-propanamido-3,4-dihydro-2H-1-benzopyran-3-carboxamide
L722-0445 Screening compound: N-[(2-methylphenyl)methyl]-6-propanamido-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L722-0445
N-[(2-methylphenyl)methyl]-6-propanamido-3,4-dihydro-2H-1-benzopyran-3-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

L722-0445

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

N-[(2-methylphenyl)methyl]-6-propanamido-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-[(2-methylphenyl)methyl]-6-propanamido-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

CCC(Nc(cc1)cc(C2)c1OCC2C(NCc1c(C)cccc1)=O)=O

InChI

InChI=1S/C21H24N2O3/c1-3-20(24)23-18-8-9-19-16(11-18)10-17(13-26-19)21(25)22-12-15-7-5-4-6-14(15)2/h4-9,11,17H,3,10,12-13H2,1-2H3,(H,22,25)(H,23,24)/t17-/m0/s1

InChI Key

SFGPBUKADVOKNF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27642033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.38

Polar Surface Area

56.171

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L722-0445 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L722-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L722-0445?
Check Price and Availability of L722-0445, 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 L722-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L722-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L722-0445
  • 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 L722-0445 available by request