8013-4227 Screening compound: 2-(4-heptylphenyl)-2-oxoethyl 2-(benzoylamino)-3-phenylpropanoate

8013-4227 Screening compound: 2-(4-heptylphenyl)-2-oxoethyl 2-(benzoylamino)-3-phenylpropanoate
8013-4227 Screening compound: 2-(4-heptylphenyl)-2-oxoethyl 2-(benzoylamino)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4227
2-(4-heptylphenyl)-2-oxoethyl 2-(benzoylamino)-3-phenylpropanoate

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

8013-4227

Molecular Formula

C31H35NO4 (C31 H35 NO4)

Compound Name

2-(4-heptylphenyl)-2-oxoethyl 2-(benzoylamino)-3-phenylpropanoate

IUPAC name

2-(4-heptylphenyl)-2-oxoethyl 3-phenyl-2-(phenylformamido)propanoate

SMILES

CCCCCCCc(cc1)ccc1C(COC(C(Cc1ccccc1)NC(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C31H35NO4/c1-2-3-4-5-8-13-24-18-20-26(21-19-24)29(33)23-36-31(35)28(22-25-14-9-6-10-15-25)32-30(34)27-16-11-7-12-17-27/h6-7,9-12,14-21,28H,2-5,8,13,22-23H2,1H3,(H,32,34)/t28-/m0/s1

InChI Key

CJJKGSISWRYMPR-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02915928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.031

Distribution Coefficient, logD

7.031

Water Solubility, LogSw

-5.74

Polar Surface Area

58.387

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.26

8013-4227 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8013-4227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4227?
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What is the minimum amount of 8013-4227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4227
  • 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 8013-4227 available by request