V005-7513 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]propanamide

V005-7513 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]propanamide
V005-7513 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7513
3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]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

V005-7513

Molecular Formula

C31H25F2N3O3 (C31 H25 F2 N3 O3)

Compound Name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]propanamide

IUPAC name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]propanamide

SMILES

[O-][N+](c(cc1)cc2c1n(Cc1ccccc1)cc2C(CC(NCc(cc1)ccc1F)=O)c1cccc(F)c1)=O

InChI

InChI=1S/C31H25F2N3O3/c32-24-11-9-21(10-12-24)18-34-31(37)17-27(23-7-4-8-25(33)15-23)29-20-35(19-22-5-2-1-3-6-22)30-14-13-26(36(38)39)16-28(29)30/h1-16,20,27H,17-19H2,(H,34,37)/t27-/m1/s1

InChI Key

YHZVGHOAECKPCJ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19848895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.306

Distribution Coefficient, logD

6.306

Water Solubility, LogSw

-5.98

Polar Surface Area

59.280

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

V005-7513 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V005-7513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7513?
Check Price and Availability of V005-7513, 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 V005-7513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7513
  • 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 V005-7513 available by request