V029-1953 Screening compound: N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}cyclobutanecarboxamide

V029-1953 Screening compound: N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}cyclobutanecarboxamide
V029-1953 Screening compound: N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1953
N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}cyclobutanecarboxamide

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

V029-1953

Molecular Formula

C25H26FN3O2 (C25 H26 FN3 O2)

Compound Name

N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}cyclobutanecarboxamide

IUPAC name

N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}cyclobutanecarboxamide

SMILES

O=C(C1CCC1)Nc(cc1)cc2c1n(Cc1cccc(F)c1)c(C(N1CCCC1)=O)c2

InChI

InChI=1S/C25H26FN3O2/c26-20-8-3-5-17(13-20)16-29-22-10-9-21(27-24(30)18-6-4-7-18)14-19(22)15-23(29)25(31)28-11-1-2-12-28/h3,5,8-10,13-15,18H,1-2,4,6-7,11-12,16H2,(H,27,30)

InChI Key

LIKVYQGOFVPJGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782244

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-3.94

Polar Surface Area

41.321

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V029-1953 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V029-1953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1953?
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What is the minimum amount of V029-1953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1953
  • 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 V029-1953 available by request