V006-0458 Screening compound: 4-(3,4-dimethoxyphenyl)-1-[(4-iodophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate

V006-0458 Screening compound: 4-(3,4-dimethoxyphenyl)-1-[(4-iodophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate
V006-0458 Screening compound: 4-(3,4-dimethoxyphenyl)-1-[(4-iodophenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0458
4-(3,4-dimethoxyphenyl)-1-[(4-iodophenyl)methyl]-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

V006-0458

Molecular Formula

C28H29IN2O4 (C28 H29 IN2 O4)

Compound Name

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

IUPAC name

4-(34-dimethoxyphenyl)-1-[(4-iodophenyl)methyl]-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cc1)ccc1I)c2-c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C28H29IN2O4/c1-5-30(6-2)28(32)35-25-14-12-23-22(15-16-31(23)18-19-7-10-21(29)11-8-19)27(25)20-9-13-24(33-3)26(17-20)34-4/h7-17H,5-6,18H2,1-4H3

InChI Key

JBRYUNLXMDHVRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.645

Distribution Coefficient, logD

6.645

Water Solubility, LogSw

-5.91

Polar Surface Area

39.034

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V006-0458 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 V006-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0458?
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What is the minimum amount of V006-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0458
  • 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 V006-0458 available by request