V005-7478 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide

V005-7478 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
V005-7478 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7478
3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)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

V005-7478

Molecular Formula

C34H32FN3O5 (C34 H32 FN3 O5)

Compound Name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide

IUPAC name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(34-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide

SMILES

COc(ccc(CCNC(CC(c1cn(Cc2ccccc2)c(cc2)c1cc2[N+]([O-])=O)c(cc1)ccc1F)=O)c1)c1OC

InChI

InChI=1S/C34H32FN3O5/c1-42-32-15-8-23(18-33(32)43-2)16-17-36-34(39)20-28(25-9-11-26(35)12-10-25)30-22-37(21-24-6-4-3-5-7-24)31-14-13-27(38(40)41)19-29(30)31/h3-15,18-19,22,28H,16-17,20-21H2,1-2H3,(H,36,39)/t28-/m1/s1

InChI Key

LHRYJTVUOIQUIS-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19848842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.475

Distribution Coefficient, logD

5.475

Water Solubility, LogSw

-5.50

Polar Surface Area

74.383

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.60

V005-7478 in Drug Discovery

Included in Screening Libraries

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

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 V005-7478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7478?
Check Price and Availability of V005-7478, 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 V005-7478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7478
  • 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 V005-7478 available by request