V029-3445 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-[(pyridin-4-yl)methyl]propanamide

V029-3445 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-[(pyridin-4-yl)methyl]propanamide
V029-3445 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-[(pyridin-4-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3445
3-(1-benzyl-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-[(pyridin-4-yl)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

V029-3445

Molecular Formula

C31H29N3O2 (C31 H29 N3 O2)

Compound Name

3-(1-benzyl-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-[(pyridin-4-yl)methyl]propanamide

IUPAC name

3-(1-benzyl-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-[(pyridin-4-yl)methyl]propanamide

SMILES

COc1c(C(CC(NCc2ccncc2)=O)c2cn(Cc3ccccc3)c3c2cccc3)cccc1

InChI

InChI=1S/C31H29N3O2/c1-36-30-14-8-6-12-26(30)27(19-31(35)33-20-23-15-17-32-18-16-23)28-22-34(21-24-9-3-2-4-10-24)29-13-7-5-11-25(28)29/h2-18,22,27H,19-21H2,1H3,(H,33,35)/t27-/m1/s1

InChI Key

QZQOPZQLIVMLHP-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19785388

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.927

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-4.68

Polar Surface Area

42.958

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

V029-3445 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-3445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3445?
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What is the minimum amount of V029-3445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3445
  • 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 V029-3445 available by request