V029-4628 Screening compound: N-(2-methoxyethyl)-3-(5-nitro-1H-indol-3-yl)-5-phenylpentanamide

V029-4628 Screening compound: N-(2-methoxyethyl)-3-(5-nitro-1H-indol-3-yl)-5-phenylpentanamide
V029-4628 Screening compound: N-(2-methoxyethyl)-3-(5-nitro-1H-indol-3-yl)-5-phenylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4628
N-(2-methoxyethyl)-3-(5-nitro-1H-indol-3-yl)-5-phenylpentanamide

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

V029-4628

Molecular Formula

C22H25N3O4 (C22 H25 N3 O4)

Compound Name

N-(2-methoxyethyl)-3-(5-nitro-1H-indol-3-yl)-5-phenylpentanamide

IUPAC name

N-(2-methoxyethyl)-3-(5-nitro-1H-indol-3-yl)-5-phenylpentanamide

SMILES

COCCNC(CC(CCc1ccccc1)c1c[nH]c(cc2)c1cc2[N+]([O-])=O)=O

InChI

InChI=1S/C22H25N3O4/c1-29-12-11-23-22(26)13-17(8-7-16-5-3-2-4-6-16)20-15-24-21-10-9-18(25(27)28)14-19(20)21/h2-6,9-10,14-15,17,24H,7-8,11-13H2,1H3,(H,23,26)/t17-/m0/s1

InChI Key

LJGFZLZMPCEJDL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19784704

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.82

Polar Surface Area

75.875

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V029-4628 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 V029-4628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4628?
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What is the minimum amount of V029-4628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4628
  • 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 V029-4628 available by request