V003-4866 Screening compound: 1-[(4-chlorophenyl)methyl]-4-(2,2-dichloroacetamido)-1H-indol-5-yl N,N-diethylcarbamate

V003-4866 Screening compound: 1-[(4-chlorophenyl)methyl]-4-(2,2-dichloroacetamido)-1H-indol-5-yl N,N-diethylcarbamate
V003-4866 Screening compound: 1-[(4-chlorophenyl)methyl]-4-(2,2-dichloroacetamido)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4866
1-[(4-chlorophenyl)methyl]-4-(2,2-dichloroacetamido)-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

V003-4866

Molecular Formula

C22H22Cl3N3O3 (C22 H22 Cl3 N3 O3)

Compound Name

1-[(4-chlorophenyl)methyl]-4-(2,2-dichloroacetamido)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-[(4-chlorophenyl)methyl]-4-(22-dichloroacetamido)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cc1)ccc1Cl)c2NC(C(Cl)Cl)=O)=O

InChI

InChI=1S/C22H22Cl3N3O3/c1-3-27(4-2)22(30)31-18-10-9-17-16(19(18)26-21(29)20(24)25)11-12-28(17)13-14-5-7-15(23)8-6-14/h5-12,20H,3-4,13H2,1-2H3,(H,26,29)

InChI Key

YRUCAUFOSHHVGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.084

Water Solubility, LogSw

-5.41

Polar Surface Area

46.011

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V003-4866 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 V003-4866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4866?
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What is the minimum amount of V003-4866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4866
  • 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 V003-4866 available by request