V016-9583 Screening compound: 4-[2-(3-chlorophenoxy)acetamido]-1-[(2-fluorophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate

V016-9583 Screening compound: 4-[2-(3-chlorophenoxy)acetamido]-1-[(2-fluorophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate
V016-9583 Screening compound: 4-[2-(3-chlorophenoxy)acetamido]-1-[(2-fluorophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9583
4-[2-(3-chlorophenoxy)acetamido]-1-[(2-fluorophenyl)methyl]-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

V016-9583

Molecular Formula

C28H27ClFN3O4 (C28 H27 ClFN3 O4)

Compound Name

4-[2-(3-chlorophenoxy)acetamido]-1-[(2-fluorophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

4-[2-(3-chlorophenoxy)acetamido]-1-[(2-fluorophenyl)methyl]-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cccc1)c1F)c2NC(COc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C28H27ClFN3O4/c1-3-32(4-2)28(35)37-25-13-12-24-22(14-15-33(24)17-19-8-5-6-11-23(19)30)27(25)31-26(34)18-36-21-10-7-9-20(29)16-21/h5-16H,3-4,17-18H2,1-2H3,(H,31,34)

InChI Key

GCOASUIBOXSSAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-6.05

Polar Surface Area

53.026

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V016-9583 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V016-9583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9583?
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What is the minimum amount of V016-9583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9583
  • 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 V016-9583 available by request