K935-0049 Screening compound: 2-(4-methylphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

K935-0049 Screening compound: 2-(4-methylphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate
K935-0049 Screening compound: 2-(4-methylphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K935-0049
2-(4-methylphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

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

K935-0049

Molecular Formula

C31H32N2O4 (C31 H32 N2 O4)

Compound Name

2-(4-methylphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

2-(4-methylphenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

SMILES

CC(C)(C)c(cc1)ccc1C(NC(Cc1c[nH]c2c1cccc2)C(OCC(c1ccc(C)cc1)=O)=O)=O

InChI

InChI=1S/C31H32N2O4/c1-20-9-11-21(12-10-20)28(34)19-37-30(36)27(17-23-18-32-26-8-6-5-7-25(23)26)33-29(35)22-13-15-24(16-14-22)31(2,3)4/h5-16,18,27,32H,17,19H2,1-4H3,(H,33,35)/t27-/m0/s1

InChI Key

KVAYGDOLACBHRM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06663605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.131

Distribution Coefficient, logD

6.131

Water Solubility, LogSw

-5.84

Polar Surface Area

68.258

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

K935-0049 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K935-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K935-0049?
Check Price and Availability of K935-0049, 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 K935-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K935-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K935-0049
  • 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 K935-0049 available by request