V006-0398 Screening compound: 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-difluorophenyl)-1H-indol-5-yl N,N-diethylcarbamate

V006-0398 Screening compound: 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-difluorophenyl)-1H-indol-5-yl N,N-diethylcarbamate
V006-0398 Screening compound: 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-difluorophenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0398
1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-difluorophenyl)-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

V006-0398

Molecular Formula

C27H23ClF2N2O4 (C27 H23 ClF2 N2 O4)

Compound Name

1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-difluorophenyl)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(6-chloro-2H-13-benzodioxol-5-yl)methyl]-4-(34-difluorophenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cc1OCOc1c1)c1Cl)c2-c(cc1)cc(F)c1F)=O

InChI

InChI=1S/C27H23ClF2N2O4/c1-3-31(4-2)27(33)36-23-8-7-22-18(26(23)16-5-6-20(29)21(30)11-16)9-10-32(22)14-17-12-24-25(13-19(17)28)35-15-34-24/h5-13H,3-4,14-15H2,1-2H3

InChI Key

UDFOHAUYMBCNIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.863

Distribution Coefficient, logD

6.863

Water Solubility, LogSw

-6.71

Polar Surface Area

40.888

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V006-0398 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 V006-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0398?
Check Price and Availability of V006-0398, 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 V006-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0398
  • 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 V006-0398 available by request