V008-3597 Screening compound: 1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate

V008-3597 Screening compound: 1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate
V008-3597 Screening compound: 1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3597
1-[(3-chlorophenyl)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

V008-3597

Molecular Formula

C27H27ClN2O3 (C27 H27 ClN2 O3)

Compound Name

1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc1cccc(Cl)c1)c2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C27H27ClN2O3/c1-4-29(5-2)27(31)33-25-14-13-24-23(26(25)20-9-11-22(32-3)12-10-20)15-16-30(24)18-19-7-6-8-21(28)17-19/h6-17H,4-5,18H2,1-3H3

InChI Key

KYPTWUWNGGOYMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.98

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

6.672

Distribution Coefficient, logD

6.672

Water Solubility, LogSw

-6.43

Polar Surface Area

31.317

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V008-3597 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 V008-3597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3597?
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What is the minimum amount of V008-3597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3597
  • 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 V008-3597 available by request