V009-6050 Screening compound: N-(butan-2-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide

V009-6050 Screening compound: N-(butan-2-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
V009-6050 Screening compound: N-(butan-2-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6050
N-(butan-2-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide

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

V009-6050

Molecular Formula

C29H32N2O2 (C29 H32 N2 O2)

Compound Name

N-(butan-2-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide

IUPAC name

N-(butan-2-yl)-3-(1-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide

SMILES

CCC(C)NC(CC(c1cn(CC)c2c1cccc2)c1cc(Oc2ccccc2)ccc1)=O

InChI

InChI=1S/C29H32N2O2/c1-4-21(3)30-29(32)19-26(27-20-31(5-2)28-17-10-9-16-25(27)28)22-12-11-15-24(18-22)33-23-13-7-6-8-14-23/h6-18,20-21,26H,4-5,19H2,1-3H3,(H,30,32)

InChI Key

XGJSZSNEXYKIQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.326

Distribution Coefficient, logD

6.326

Water Solubility, LogSw

-5.67

Polar Surface Area

32.356

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.60

V009-6050 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V009-6050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6050?
Check Price and Availability of V009-6050, 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 V009-6050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6050
  • 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 V009-6050 available by request