V008-2900 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one

V008-2900 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
V008-2900 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2900
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(7-ethyl-1H-indol-3-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

V008-2900

Molecular Formula

C32H32F3N3O3 (C32 H32 F3 N3 O3)

Compound Name

1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one

IUPAC name

1-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one

SMILES

CCc1cccc2c1[nH]cc2C(CC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C32H32F3N3O3/c1-2-22-5-4-8-25-27(18-36-31(22)25)26(23-6-3-7-24(16-23)32(33,34)35)17-30(39)38-13-11-37(12-14-38)19-21-9-10-28-29(15-21)41-20-40-28/h3-10,15-16,18,26,36H,2,11-14,17,19-20H2,1H3/t26-/m1/s1

InChI Key

BAKMTLGHXJPMKF-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19850998

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.288

Distribution Coefficient, logD

5.944

Water Solubility, LogSw

-5.94

Polar Surface Area

47.385

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

V008-2900 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V008-2900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2900?
Check Price and Availability of V008-2900, 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 V008-2900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2900
  • 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 V008-2900 available by request