V004-9131 Screening compound: N-[(4-tert-butylphenyl)methyl]-2-[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

V004-9131 Screening compound: N-[(4-tert-butylphenyl)methyl]-2-[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
V004-9131 Screening compound: N-[(4-tert-butylphenyl)methyl]-2-[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9131
N-[(4-tert-butylphenyl)methyl]-2-[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]-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

V004-9131

Molecular Formula

C36H47N3O2 (C36 H47 N3 O2)

Compound Name

N-[(4-tert-butylphenyl)methyl]-2-[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

IUPAC name

N-[(4-tert-butylphenyl)methyl]-2-[(2-hydroxy-3-phenylpropyl)(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

SMILES

CC(C)CN(CC(Cc1ccccc1)O)CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C36H47N3O2/c1-27(2)23-38(25-32(40)21-28-11-7-6-8-12-28)26-35(41)39(24-29-15-17-31(18-16-29)36(3,4)5)20-19-30-22-37-34-14-10-9-13-33(30)34/h6-18,22,27,32,37,40H,19-21,23-26H2,1-5H3/t32-/m0/s1

InChI Key

LGSRWZQPSDLOHH-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD19773730

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.194

Distribution Coefficient, logD

7.188

Water Solubility, LogSw

-5.65

Polar Surface Area

46.102

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V004-9131 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V004-9131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9131?
Check Price and Availability of V004-9131, 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 V004-9131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9131
  • 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 V004-9131 available by request