V017-6788 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate

V017-6788 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate
V017-6788 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6788
1-[(2-chloro-4-fluorophenyl)methyl]-4-(4-cyanophenyl)-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

V017-6788

Molecular Formula

C27H23ClFN3O2 (C27 H23 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(ccc(F)c1)c1Cl)c2-c(cc1)ccc1C#N)=O

InChI

InChI=1S/C27H23ClFN3O2/c1-3-31(4-2)27(33)34-25-12-11-24-22(26(25)19-7-5-18(16-30)6-8-19)13-14-32(24)17-20-9-10-21(29)15-23(20)28/h5-15H,3-4,17H2,1-2H3

InChI Key

DWHNFYBSNMOXKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.578

Distribution Coefficient, logD

6.578

Water Solubility, LogSw

-6.50

Polar Surface Area

40.829

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V017-6788 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V017-6788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6788?
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What is the minimum amount of V017-6788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6788
  • 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 V017-6788 available by request