V018-0889 Screening compound: 3-(2-fluoro-5-methylphenyl)-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

V018-0889 Screening compound: 3-(2-fluoro-5-methylphenyl)-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
V018-0889 Screening compound: 3-(2-fluoro-5-methylphenyl)-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0889
3-(2-fluoro-5-methylphenyl)-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]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

V018-0889

Molecular Formula

C32H36FN3O2 (C32 H36 FN3 O2)

Compound Name

3-(2-fluoro-5-methylphenyl)-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

IUPAC name

3-(2-fluoro-5-methylphenyl)-3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-[2-(pyrrolidin-1-yl)ethyl]propanamide

SMILES

Cc(cc1)cc(C(CC(NCCN2CCCC2)=O)c2cn(Cc(cc3)ccc3OC)c3c2cccc3)c1F

InChI

InChI=1S/C32H36FN3O2/c1-23-9-14-30(33)28(19-23)27(20-32(37)34-15-18-35-16-5-6-17-35)29-22-36(31-8-4-3-7-26(29)31)21-24-10-12-25(38-2)13-11-24/h3-4,7-14,19,22,27H,5-6,15-18,20-21H2,1-2H3,(H,34,37)/t27-/m1/s1

InChI Key

DGKJOTKXVBBBHA-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD20493198

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.424

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-5.36

Polar Surface Area

37.633

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

V018-0889 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V018-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0889?
Check Price and Availability of V018-0889, 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 V018-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0889
  • 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 V018-0889 available by request