V029-3397 Screening compound: 3-[3-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-1-(morpholin-4-yl)propan-1-one

V029-3397 Screening compound: 3-[3-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-1-(morpholin-4-yl)propan-1-one
V029-3397 Screening compound: 3-[3-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-1-(morpholin-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3397
3-[3-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-1-(morpholin-4-yl)propan-1-one

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

V029-3397

Molecular Formula

C36H36N2O4 (C36 H36 N2 O4)

Compound Name

3-[3-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-1-(morpholin-4-yl)propan-1-one

IUPAC name

3-[3-(benzyloxy)phenyl]-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-1-(morpholin-4-yl)propan-1-one

SMILES

COc1ccc(Cn2c(cccc3)c3c(C(CC(N3CCOCC3)=O)c3cc(OCc4ccccc4)ccc3)c2)cc1

InChI

InChI=1S/C36H36N2O4/c1-40-30-16-14-27(15-17-30)24-38-25-34(32-12-5-6-13-35(32)38)33(23-36(39)37-18-20-41-21-19-37)29-10-7-11-31(22-29)42-26-28-8-3-2-4-9-28/h2-17,22,25,33H,18-21,23-24,26H2,1H3/t33-/m1/s1

InChI Key

GXXQPFWWGRFWBR-MGBGTMOVSA-N

MDL Number (MFCD)

MFCD19780211

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

560.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.024

Distribution Coefficient, logD

6.024

Water Solubility, LogSw

-5.69

Polar Surface Area

40.500

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V029-3397 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

PI3K-Targeted Library (17255 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-3397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3397?
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What is the minimum amount of V029-3397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3397
  • 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 V029-3397 available by request