V003-8573 Screening compound: 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

V003-8573 Screening compound: 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate
V003-8573 Screening compound: 1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8573
1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-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

V003-8573

Molecular Formula

C28H27ClN2O4 (C28 H27 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cc1OCOc1c1)c1Cl)c2-c1ccc(C)cc1)=O

InChI

InChI=1S/C28H27ClN2O4/c1-4-30(5-2)28(32)35-24-11-10-23-21(27(24)19-8-6-18(3)7-9-19)12-13-31(23)16-20-14-25-26(15-22(20)29)34-17-33-25/h6-15H,4-5,16-17H2,1-3H3

InChI Key

HDIPEOMTVAYNPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.99

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

7.134

Distribution Coefficient, logD

7.134

Water Solubility, LogSw

-6.64

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

25.00

V003-8573 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 V003-8573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8573?
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What is the minimum amount of V003-8573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8573
  • 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 V003-8573 available by request