V014-0718 Screening compound: 2-{[3-(benzyloxy)-2-hydroxypropyl](propyl)amino}-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

V014-0718 Screening compound: 2-{[3-(benzyloxy)-2-hydroxypropyl](propyl)amino}-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
V014-0718 Screening compound: 2-{[3-(benzyloxy)-2-hydroxypropyl](propyl)amino}-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0718
2-{[3-(benzyloxy)-2-hydroxypropyl](propyl)amino}-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

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

V014-0718

Molecular Formula

C36H47N3O3 (C36 H47 N3 O3)

Compound Name

2-{[3-(benzyloxy)-2-hydroxypropyl](propyl)amino}-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

IUPAC name

2-{[3-(benzyloxy)-2-hydroxypropyl](propyl)amino}-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

SMILES

CCCN(CC(COCc1ccccc1)O)CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C36H47N3O3/c1-5-20-38(24-32(40)27-42-26-29-11-7-6-8-12-29)25-35(41)39(23-28-15-17-31(18-16-28)36(2,3)4)21-19-30-22-37-34-14-10-9-13-33(30)34/h6-18,22,32,37,40H,5,19-21,23-27H2,1-4H3/t32-/m0/s1

InChI Key

KCIUKKCHMJAGTE-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD19773725

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

569.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.443

Distribution Coefficient, logD

6.438

Water Solubility, LogSw

-5.68

Polar Surface Area

54.515

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V014-0718 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

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
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V014-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0718?
Check Price and Availability of V014-0718, 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 V014-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0718
  • 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 V014-0718 available by request