V029-3586 Screening compound: 3-(5-methoxy-1H-indol-3-yl)-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one

V029-3586 Screening compound: 3-(5-methoxy-1H-indol-3-yl)-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
V029-3586 Screening compound: 3-(5-methoxy-1H-indol-3-yl)-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3586
3-(5-methoxy-1H-indol-3-yl)-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]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

V029-3586

Molecular Formula

C23H23F3N2O2 (C23 H23 F3 N2 O2)

Compound Name

3-(5-methoxy-1H-indol-3-yl)-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one

IUPAC name

3-(5-methoxy-1H-indol-3-yl)-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one

SMILES

COc(cc1)cc2c1[nH]cc2C(CC(N1CCCC1)=O)c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C23H23F3N2O2/c1-30-17-7-8-21-19(12-17)20(14-27-21)18(13-22(29)28-9-2-3-10-28)15-5-4-6-16(11-15)23(24,25)26/h4-8,11-12,14,18,27H,2-3,9-10,13H2,1H3/t18-/m1/s1

InChI Key

AIIJJLRZSYTWAQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19777468

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

5.041

Water Solubility, LogSw

-4.85

Polar Surface Area

33.868

Acid Dissociation Constant (pKa)

17.52

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

V029-3586 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Indole Derivatives (10091 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-3586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3586?
Check Price and Availability of V029-3586, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V029-3586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3586
  • 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 V029-3586 available by request