V017-5499 Screening compound: 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate

V017-5499 Screening compound: 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate
V017-5499 Screening compound: 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5499
1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-(4-methoxyphenyl)-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

V017-5499

Molecular Formula

C28H28ClFN2O3 (C28 H28 ClFN2 O3)

Compound Name

1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(c(F)c(C)cc1)c1Cl)c2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C28H28ClFN2O3/c1-5-31(6-2)28(33)35-25-14-13-24-21(26(25)19-8-10-20(34-4)11-9-19)15-16-32(24)17-22-23(29)12-7-18(3)27(22)30/h7-16H,5-6,17H2,1-4H3

InChI Key

AXMJQXHLBZRLIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.99

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

7.406

Distribution Coefficient, logD

7.406

Water Solubility, LogSw

-6.68

Polar Surface Area

31.317

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V017-5499 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 V017-5499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5499?
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What is the minimum amount of V017-5499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5499
  • 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 V017-5499 available by request