K781-7505 Screening compound: 4-{[(3,4-dimethoxyphenyl)formamido]methyl}benzoic acid

K781-7505 Screening compound: 4-{[(3,4-dimethoxyphenyl)formamido]methyl}benzoic acid
K781-7505 Screening compound: 4-{[(3,4-dimethoxyphenyl)formamido]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-7505
4-{[(3,4-dimethoxyphenyl)formamido]methyl}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

K781-7505

Molecular Formula

C17H17NO5 (C17 H17 NO5)

Compound Name

4-{[(3,4-dimethoxyphenyl)formamido]methyl}benzoic acid

IUPAC name

4-{[(34-dimethoxyphenyl)formamido]methyl}benzoic acid

SMILES

COc(ccc(C(NCc(cc1)ccc1C(O)=O)=O)c1)c1OC

InChI

InChI=1S/C17H17NO5/c1-22-14-8-7-13(9-15(14)23-2)16(19)18-10-11-3-5-12(6-4-11)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)

InChI Key

NKQAYSNQAQHUNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.159

Distribution Coefficient, logD

-0.812

Water Solubility, LogSw

-2.56

Polar Surface Area

68.321

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K781-7505 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Nuclear receptors
  • Proteases

References: we are preparing a list of scientific research reports with K781-7505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-7505?
Check Price and Availability of K781-7505, 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 K781-7505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-7505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-7505
  • 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 K781-7505 available by request