V029-6334 Screening compound: 5-[2-(benzyloxy)acetamido]-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide

V029-6334 Screening compound: 5-[2-(benzyloxy)acetamido]-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide
V029-6334 Screening compound: 5-[2-(benzyloxy)acetamido]-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6334
5-[2-(benzyloxy)acetamido]-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide

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

V029-6334

Molecular Formula

C31H32FN3O4 (C31 H32 FN3 O4)

Compound Name

5-[2-(benzyloxy)acetamido]-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide

IUPAC name

5-[2-(benzyloxy)acetamido]-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]-1H-indole-2-carboxamide

SMILES

CC1(CNC(c2cc(cc(cc3)NC(COCc4ccccc4)=O)c3n2Cc(cc2)ccc2F)=O)OCCC1

InChI

InChI=1S/C31H32FN3O4/c1-31(14-5-15-39-31)21-33-30(37)28-17-24-16-26(34-29(36)20-38-19-23-6-3-2-4-7-23)12-13-27(24)35(28)18-22-8-10-25(32)11-9-22/h2-4,6-13,16-17H,5,14-15,18-21H2,1H3,(H,33,37)(H,34,36)/t31-/m1/s1

InChI Key

RQERNRHUXSKIAL-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD19779547

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.276

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.31

Polar Surface Area

64.369

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

V029-6334 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-6334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6334?
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What is the minimum amount of V029-6334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6334
  • 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 V029-6334 available by request