V029-5745 Screening compound: 3-[4-(benzyloxy)-3-methoxyphenyl]-N-[2-(morpholin-4-yl)ethyl]-3-(5-nitro-1H-indol-3-yl)propanamide

V029-5745 Screening compound: 3-[4-(benzyloxy)-3-methoxyphenyl]-N-[2-(morpholin-4-yl)ethyl]-3-(5-nitro-1H-indol-3-yl)propanamide
V029-5745 Screening compound: 3-[4-(benzyloxy)-3-methoxyphenyl]-N-[2-(morpholin-4-yl)ethyl]-3-(5-nitro-1H-indol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5745
3-[4-(benzyloxy)-3-methoxyphenyl]-N-[2-(morpholin-4-yl)ethyl]-3-(5-nitro-1H-indol-3-yl)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

V029-5745

Molecular Formula

C31H34N4O6 (C31 H34 N4 O6)

Compound Name

3-[4-(benzyloxy)-3-methoxyphenyl]-N-[2-(morpholin-4-yl)ethyl]-3-(5-nitro-1H-indol-3-yl)propanamide

IUPAC name

3-[4-(benzyloxy)-3-methoxyphenyl]-N-[2-(morpholin-4-yl)ethyl]-3-(5-nitro-1H-indol-3-yl)propanamide

SMILES

COc(cc(C(CC(NCCN1CCOCC1)=O)c1c[nH]c(cc2)c1cc2[N+]([O-])=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C31H34N4O6/c1-39-30-17-23(7-10-29(30)41-21-22-5-3-2-4-6-22)25(19-31(36)32-11-12-34-13-15-40-16-14-34)27-20-33-28-9-8-24(35(37)38)18-26(27)28/h2-10,17-18,20,25,33H,11-16,19,21H2,1H3,(H,32,36)/t25-/m1/s1

InChI Key

OBNJERZNQFHXIL-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19777735

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-4.15

Polar Surface Area

94.096

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V029-5745 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 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:
  • 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 V029-5745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5745?
Check Price and Availability of V029-5745, 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 V029-5745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5745
  • 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 V029-5745 available by request