V009-1420 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

V009-1420 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate
V009-1420 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1420
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

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

V009-1420

Molecular Formula

C27H26ClFN2O2 (C27 H26 ClFN2 O2)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(c(F)ccc1)c1Cl)c2-c1ccc(C)cc1)=O

InChI

InChI=1S/C27H26ClFN2O2/c1-4-30(5-2)27(32)33-25-14-13-24-20(26(25)19-11-9-18(3)10-12-19)15-16-31(24)17-21-22(28)7-6-8-23(21)29/h6-16H,4-5,17H2,1-3H3

InChI Key

CKBQOHKEPAGNDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.084

Distribution Coefficient, logD

7.084

Water Solubility, LogSw

-6.51

Polar Surface Area

23.773

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V009-1420 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 V009-1420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1420?
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What is the minimum amount of V009-1420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1420
  • 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 V009-1420 available by request