V008-0410 Screening compound: 3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

V008-0410 Screening compound: 3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
V008-0410 Screening compound: 3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0410
3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

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

V008-0410

Molecular Formula

C28H27Cl2N3O (C28 H27 Cl2 N3 O)

Compound Name

3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-(34-dichlorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

SMILES

Cc(cccc1)c1N(CC1)CCN1C(CC(c1c[nH]c2c1cccc2)c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C28H27Cl2N3O/c1-19-6-2-5-9-27(19)32-12-14-33(15-13-32)28(34)17-22(20-10-11-24(29)25(30)16-20)23-18-31-26-8-4-3-7-21(23)26/h2-11,16,18,22,31H,12-15,17H2,1H3/t22-/m1/s1

InChI Key

FTODQGPKFMDVEE-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19852283

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.032

Distribution Coefficient, logD

7.032

Water Solubility, LogSw

-6.46

Polar Surface Area

28.918

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V008-0410 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 V008-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0410?
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What is the minimum amount of V008-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0410
  • 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 V008-0410 available by request