D016-1209 Screening compound: 1-(5-{2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one

D016-1209 Screening compound: 1-(5-{2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one
D016-1209 Screening compound: 1-(5-{2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D016-1209
1-(5-{2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-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

D016-1209

Molecular Formula

C32H37N3O4 (C32 H37 N3 O4)

Compound Name

1-(5-{2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one

IUPAC name

1-(5-{2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one

SMILES

CC(c(c1c2ccc(OCC(CN(CC3)CCN3c(cccc3)c3OC)O)c1)c(C)n2-c1ccc(C)cc1)=O

InChI

InChI=1S/C32H37N3O4/c1-22-9-11-25(12-10-22)35-23(2)32(24(3)36)28-19-27(13-14-29(28)35)39-21-26(37)20-33-15-17-34(18-16-33)30-7-5-6-8-31(30)38-4/h5-14,19,26,37H,15-18,20-21H2,1-4H3/t26-/m0/s1

InChI Key

KTQLJAMIFCXEID-SANMLTNESA-N

MDL Number (MFCD)

MFCD14810870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.157

Distribution Coefficient, logD

5.124

Water Solubility, LogSw

-5.18

Polar Surface Area

54.450

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

D016-1209 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D016-1209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D016-1209?
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What is the minimum amount of D016-1209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D016-1209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D016-1209
  • 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 D016-1209 available by request