V015-0880 Screening compound: N,N-diethyl-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}-3-(thiophen-2-yl)propanamide

V015-0880 Screening compound: N,N-diethyl-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}-3-(thiophen-2-yl)propanamide
V015-0880 Screening compound: N,N-diethyl-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}-3-(thiophen-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0880
N,N-diethyl-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}-3-(thiophen-2-yl)propanamide

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

V015-0880

Molecular Formula

C26H27FN2OS (C26 H27 FN2 OS)

Compound Name

N,N-diethyl-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}-3-(thiophen-2-yl)propanamide

IUPAC name

NN-diethyl-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}-3-(thiophen-2-yl)propanamide

SMILES

CCN(CC)C(CC(c1cn(Cc(cc2)ccc2F)c2c1cccc2)c1cccs1)=O

InChI

InChI=1S/C26H27FN2OS/c1-3-28(4-2)26(30)16-22(25-10-7-15-31-25)23-18-29(24-9-6-5-8-21(23)24)17-19-11-13-20(27)14-12-19/h5-15,18,22H,3-4,16-17H2,1-2H3/t22-/m0/s1

InChI Key

NDWJCDXJXPJICF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19741878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.286

Distribution Coefficient, logD

5.286

Water Solubility, LogSw

-5.37

Polar Surface Area

18.122

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

V015-0880 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Indole Derivatives (10091 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V015-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0880?
Check Price and Availability of V015-0880, 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 V015-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0880
  • 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 V015-0880 available by request