K809-0330 Screening compound: ETHYL N-[4-(4-METHOXYPHENYL)-4-OXOBUTANOYL]PHENYLALANINATE

K809-0330 Screening compound: ETHYL N-[4-(4-METHOXYPHENYL)-4-OXOBUTANOYL]PHENYLALANINATE
K809-0330 Screening compound: ETHYL N-[4-(4-METHOXYPHENYL)-4-OXOBUTANOYL]PHENYLALANINATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K809-0330
ETHYL N-[4-(4-METHOXYPHENYL)-4-OXOBUTANOYL]PHENYLALANINATE

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

K809-0330

Molecular Formula

C22H25NO5 (C22 H25 NO5)

Compound Name

ETHYL N-[4-(4-METHOXYPHENYL)-4-OXOBUTANOYL]PHENYLALANINATE

IUPAC name

ethyl 2-[4-(4-methoxyphenyl)-4-oxobutanamido]-3-phenylpropanoate

SMILES

CCOC(C(Cc1ccccc1)NC(CCC(c(cc1)ccc1OC)=O)=O)=O

InChI

InChI=1S/C22H25NO5/c1-3-28-22(26)19(15-16-7-5-4-6-8-16)23-21(25)14-13-20(24)17-9-11-18(27-2)12-10-17/h4-12,19H,3,13-15H2,1-2H3,(H,23,25)/t19-/m0/s1

InChI Key

FDIAVHSEMBKPAB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15109436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-3.65

Polar Surface Area

65.613

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

K809-0330 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K809-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K809-0330?
Check Price and Availability of K809-0330, 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 K809-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K809-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K809-0330
  • 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 K809-0330 available by request