K935-0047 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

K935-0047 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate
K935-0047 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K935-0047
2-(4-chlorophenyl)-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

K935-0047

Molecular Formula

C30H29ClN2O4 (C30 H29 ClN2 O4)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-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(c(cc1)ccc1Cl)=O)=O)=O

InChI

InChI=1S/C30H29ClN2O4/c1-30(2,3)22-12-8-20(9-13-22)28(35)33-26(16-21-17-32-25-7-5-4-6-24(21)25)29(36)37-18-27(34)19-10-14-23(31)15-11-19/h4-15,17,26,32H,16,18H2,1-3H3,(H,33,35)/t26-/m0/s1

InChI Key

QULLSUSJKYRCIQ-SANMLTNESA-N

MDL Number (MFCD)

MFCD06663603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.02

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

6.302

Distribution Coefficient, logD

6.302

Water Solubility, LogSw

-6.29

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

23.30

K935-0047 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K935-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K935-0047?
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What is the minimum amount of K935-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K935-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K935-0047
  • 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 K935-0047 available by request