V029-0829 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-nitrophenyl)-N-[2-(pyridin-2-yl)ethyl]propanamide

V029-0829 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-nitrophenyl)-N-[2-(pyridin-2-yl)ethyl]propanamide
V029-0829 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-nitrophenyl)-N-[2-(pyridin-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0829
3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-nitrophenyl)-N-[2-(pyridin-2-yl)ethyl]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

V029-0829

Molecular Formula

C31H27N5O5 (C31 H27 N5 O5)

Compound Name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-nitrophenyl)-N-[2-(pyridin-2-yl)ethyl]propanamide

IUPAC name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(3-nitrophenyl)-N-[2-(pyridin-2-yl)ethyl]propanamide

SMILES

[O-][N+](c(cc1)cc2c1n(Cc1ccccc1)cc2C(CC(NCCc1ncccc1)=O)c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C31H27N5O5/c37-31(33-16-14-24-10-4-5-15-32-24)19-27(23-9-6-11-25(17-23)35(38)39)29-21-34(20-22-7-2-1-3-8-22)30-13-12-26(36(40)41)18-28(29)30/h1-13,15,17-18,21,27H,14,16,19-20H2,(H,33,37)/t27-/m1/s1

InChI Key

VWSFHJPNJFBBIF-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19777389

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

549.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.930

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.90

Polar Surface Area

102.047

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

V029-0829 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0829?
Check Price and Availability of V029-0829, 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 V029-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0829
  • 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 V029-0829 available by request