L087-1036 Screening compound: N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamido-4-methylbenzamide

L087-1036 Screening compound: N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamido-4-methylbenzamide
L087-1036 Screening compound: N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamido-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-1036
N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamido-4-methylbenzamide

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

L087-1036

Molecular Formula

C23H21ClFN5O2 (C23 H21 ClFN5 O2)

Compound Name

N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamido-4-methylbenzamide

IUPAC name

N-[(E)-N'-(3-chloro-4-fluorophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]-3-acetamido-4-methylbenzamide

SMILES

CC(Nc1c(C)ccc(C(N/C(/NCc2cnccc2)=N/c(cc2)cc(Cl)c2F)=O)c1)=O

InChI

InChI=1S/C23H21ClFN5O2/c1-14-5-6-17(10-21(14)28-15(2)31)22(32)30-23(27-13-16-4-3-9-26-12-16)29-18-7-8-20(25)19(24)11-18/h3-12H,13H2,1-2H3,(H,28,31)(H2,27,29,30,32)

InChI Key

OWGYKQFXCHBRTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-3.49

Polar Surface Area

73.933

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L087-1036 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 L087-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-1036?
Check Price and Availability of L087-1036, 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 L087-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-1036
  • 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 L087-1036 available by request