V029-5112 Screening compound: 3-[4-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

V029-5112 Screening compound: 3-[4-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
V029-5112 Screening compound: 3-[4-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5112
3-[4-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-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

V029-5112

Molecular Formula

C38H41N3O3 (C38 H41 N3 O3)

Compound Name

3-[4-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

IUPAC name

3-[4-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

SMILES

COc1ccc(Cn2c(cccc3)c3c(C(CC(NCCN3CCCC3)=O)c(cc3)ccc3OCc3ccccc3)c2)cc1

InChI

InChI=1S/C38H41N3O3/c1-43-32-17-13-29(14-18-32)26-41-27-36(34-11-5-6-12-37(34)41)35(25-38(42)39-21-24-40-22-7-8-23-40)31-15-19-33(20-16-31)44-28-30-9-3-2-4-10-30/h2-6,9-20,27,35H,7-8,21-26,28H2,1H3,(H,39,42)/t35-/m1/s1

InChI Key

XNZPHEWWAYWEOK-PGUFJCEWSA-N

MDL Number (MFCD)

MFCD19789934

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

587.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.164

Distribution Coefficient, logD

4.008

Water Solubility, LogSw

-5.64

Polar Surface Area

44.860

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.90

V029-5112 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V029-5112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5112?
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What is the minimum amount of V029-5112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5112
  • 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 V029-5112 available by request