V001-4622 Screening compound: 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate

V001-4622 Screening compound: 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate
V001-4622 Screening compound: 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-cyanophenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4622
1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-cyanophenyl)-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

V001-4622

Molecular Formula

C28H24ClN3O4 (C28 H24 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cc1OCOc1c1)c1Cl)c2-c(cc1)ccc1C#N)=O

InChI

InChI=1S/C28H24ClN3O4/c1-3-31(4-2)28(33)36-24-10-9-23-21(27(24)19-7-5-18(15-30)6-8-19)11-12-32(23)16-20-13-25-26(14-22(20)29)35-17-34-25/h5-14H,3-4,16-17H2,1-2H3

InChI Key

HNBMZZKCGXCTTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.365

Distribution Coefficient, logD

6.365

Water Solubility, LogSw

-6.49

Polar Surface Area

57.944

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V001-4622 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V001-4622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4622?
Check Price and Availability of V001-4622, 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 V001-4622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4622
  • 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 V001-4622 available by request