L087-0244 Screening compound: methyl 4-{[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]carbamoyl}benzoate

L087-0244 Screening compound: methyl 4-{[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]carbamoyl}benzoate
L087-0244 Screening compound: methyl 4-{[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]carbamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L087-0244
methyl 4-{[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]carbamoyl}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

L087-0244

Molecular Formula

C22H19BrN4O3 (C22 H19 BrN4 O3)

Compound Name

methyl 4-{[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]carbamoyl}benzoate

IUPAC name

methyl 4-{[(E)-N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl]carbamoyl}benzoate

SMILES

COC(c(cc1)ccc1C(N/C(/NCc1cnccc1)=N/c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C22H19BrN4O3/c1-30-21(29)17-6-4-16(5-7-17)20(28)27-22(25-14-15-3-2-12-24-13-15)26-19-10-8-18(23)9-11-19/h2-13H,14H2,1H3,(H2,25,26,27,28)

InChI Key

VVZFZZQXFSTKIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27230334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.32

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

3.539

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-3.32

Polar Surface Area

72.543

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L087-0244 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L087-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L087-0244?
Check Price and Availability of L087-0244, 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 L087-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L087-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L087-0244
  • 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 L087-0244 available by request