K786-0834 Screening compound: 2-{[(4-methylphenyl)methyl]carbamoyl}benzoic acid

K786-0834 Screening compound: 2-{[(4-methylphenyl)methyl]carbamoyl}benzoic acid
K786-0834 Screening compound: 2-{[(4-methylphenyl)methyl]carbamoyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0834
2-{[(4-methylphenyl)methyl]carbamoyl}benzoic acid

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

K786-0834

Molecular Formula

C16H15NO3 (C16 H15 NO3)

Compound Name

2-{[(4-methylphenyl)methyl]carbamoyl}benzoic acid

IUPAC name

2-{[(4-methylphenyl)methyl]carbamoyl}benzoic acid

SMILES

Cc1ccc(CNC(c(cccc2)c2C(O)=O)=O)cc1

InChI

InChI=1S/C16H15NO3/c1-11-6-8-12(9-7-11)10-17-15(18)13-4-2-3-5-14(13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)

InChI Key

HULHCJZTOYDUAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00029937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

-1.368

Water Solubility, LogSw

-2.96

Polar Surface Area

53.060

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K786-0834 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K786-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0834?
Check Price and Availability of K786-0834, 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 K786-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0834
  • 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 K786-0834 available by request