V009-0645 Screening compound: 1-[(4-ethylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate

V009-0645 Screening compound: 1-[(4-ethylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate
V009-0645 Screening compound: 1-[(4-ethylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0645
1-[(4-ethylphenyl)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

V009-0645

Molecular Formula

C29H32N2O3 (C29 H32 N2 O3)

Compound Name

1-[(4-ethylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(4-ethylphenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCc1ccc(Cn(cc2)c(cc3)c2c(-c(cc2)ccc2OC)c3OC(N(CC)CC)=O)cc1

InChI

InChI=1S/C29H32N2O3/c1-5-21-8-10-22(11-9-21)20-31-19-18-25-26(31)16-17-27(34-29(32)30(6-2)7-3)28(25)23-12-14-24(33-4)15-13-23/h8-19H,5-7,20H2,1-4H3

InChI Key

JIJXNGSUFMVSPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.948

Distribution Coefficient, logD

6.948

Water Solubility, LogSw

-5.97

Polar Surface Area

31.317

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V009-0645 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 V009-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0645?
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What is the minimum amount of V009-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0645
  • 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 V009-0645 available by request