L086-0876 Screening compound: methyl 3-[(E)-[(phenylformamido)({[(pyridin-2-yl)methyl]amino})methylidene]amino]benzoate

L086-0876 Screening compound: methyl 3-[(E)-[(phenylformamido)({[(pyridin-2-yl)methyl]amino})methylidene]amino]benzoate
L086-0876 Screening compound: methyl 3-[(E)-[(phenylformamido)({[(pyridin-2-yl)methyl]amino})methylidene]amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L086-0876
methyl 3-[(E)-[(phenylformamido)({[(pyridin-2-yl)methyl]amino})methylidene]amino]benzoate

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

L086-0876

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

methyl 3-[(E)-[(phenylformamido)({[(pyridin-2-yl)methyl]amino})methylidene]amino]benzoate

IUPAC name

methyl 3-[(E)-[(phenylformamido)({[(pyridin-2-yl)methyl]amino})methylidene]amino]benzoate

SMILES

COC(c1cc(/N=C(\NCc2ncccc2)/NC(c2ccccc2)=O)ccc1)=O

InChI

InChI=1S/C22H20N4O3/c1-29-21(28)17-10-7-12-18(14-17)25-22(24-15-19-11-5-6-13-23-19)26-20(27)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H2,24,25,26,27)

InChI Key

OLGYYOGXEVUUDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.46

Polar Surface Area

72.568

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L086-0876 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L086-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L086-0876?
Check Price and Availability of L086-0876, 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 L086-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L086-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L086-0876
  • 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 L086-0876 available by request