V029-7271 Screening compound: 3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-4-phenyl-N-[2-(pyridin-2-yl)ethyl]butanamide

V029-7271 Screening compound: 3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-4-phenyl-N-[2-(pyridin-2-yl)ethyl]butanamide
V029-7271 Screening compound: 3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-4-phenyl-N-[2-(pyridin-2-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7271
3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-4-phenyl-N-[2-(pyridin-2-yl)ethyl]butanamide

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

V029-7271

Molecular Formula

C33H33N3O2 (C33 H33 N3 O2)

Compound Name

3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-4-phenyl-N-[2-(pyridin-2-yl)ethyl]butanamide

IUPAC name

3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-4-phenyl-N-[2-(pyridin-2-yl)ethyl]butanamide

SMILES

COc1ccc(Cn2c(cccc3)c3c(C(CC(NCCc3ncccc3)=O)Cc3ccccc3)c2)cc1

InChI

InChI=1S/C33H33N3O2/c1-38-29-16-14-26(15-17-29)23-36-24-31(30-12-5-6-13-32(30)36)27(21-25-9-3-2-4-10-25)22-33(37)35-20-18-28-11-7-8-19-34-28/h2-17,19,24,27H,18,20-23H2,1H3,(H,35,37)/t27-/m1/s1

InChI Key

JGICNMNXMMBULX-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19789937

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.588

Distribution Coefficient, logD

5.583

Water Solubility, LogSw

-5.58

Polar Surface Area

42.827

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.20

V029-7271 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 V029-7271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7271?
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What is the minimum amount of V029-7271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7271
  • 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 V029-7271 available by request