V009-9895 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-pentyl-3-phenylpropanamide

V009-9895 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-pentyl-3-phenylpropanamide
V009-9895 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-pentyl-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9895
3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-pentyl-3-phenylpropanamide

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

V009-9895

Molecular Formula

C29H31N3O3 (C29 H31 N3 O3)

Compound Name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-pentyl-3-phenylpropanamide

IUPAC name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-pentyl-3-phenylpropanamide

SMILES

CCCCCNC(CC(c1cn(Cc2ccccc2)c(cc2)c1cc2[N+]([O-])=O)c1ccccc1)=O

InChI

InChI=1S/C29H31N3O3/c1-2-3-10-17-30-29(33)19-25(23-13-8-5-9-14-23)27-21-31(20-22-11-6-4-7-12-22)28-16-15-24(32(34)35)18-26(27)28/h4-9,11-16,18,21,25H,2-3,10,17,19-20H2,1H3,(H,30,33)/t25-/m1/s1

InChI Key

VQQDSJPYHSFEMH-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19848838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.241

Distribution Coefficient, logD

6.241

Water Solubility, LogSw

-5.42

Polar Surface Area

59.393

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

V009-9895 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 V009-9895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9895?
Check Price and Availability of V009-9895, 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 V009-9895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9895
  • 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 V009-9895 available by request