V006-6939 Screening compound: 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate

V006-6939 Screening compound: 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate
V006-6939 Screening compound: 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxybenzamido)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6939
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxybenzamido)-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

V006-6939

Molecular Formula

C29H30ClN3O5 (C29 H30 ClN3 O5)

Compound Name

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

IUPAC name

1-[(4-chlorophenyl)methyl]-4-(34-dimethoxybenzamido)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cc1)ccc1Cl)c2NC(c(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C29H30ClN3O5/c1-5-32(6-2)29(35)38-25-14-12-23-22(15-16-33(23)18-19-7-10-21(30)11-8-19)27(25)31-28(34)20-9-13-24(36-3)26(17-20)37-4/h7-17H,5-6,18H2,1-4H3,(H,31,34)

InChI Key

NJOARHDNJPIXFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-5.25

Polar Surface Area

61.001

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V006-6939 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V006-6939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6939?
Check Price and Availability of V006-6939, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V006-6939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6939
  • 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 V006-6939 available by request