3909-9974 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenylpiperazine-1-carbonyl)isoquinoline

3909-9974 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenylpiperazine-1-carbonyl)isoquinoline
3909-9974 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenylpiperazine-1-carbonyl)isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-9974
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenylpiperazine-1-carbonyl)isoquinoline

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

3909-9974

Molecular Formula

C31H33N5O2 (C31 H33 N5 O2)

Compound Name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenylpiperazine-1-carbonyl)isoquinoline

IUPAC name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenylpiperazine-1-carbonyl)isoquinoline

SMILES

COc(cccc1)c1N(CC1)CCN1c1ncc(C(N(CC2)CCN2c2ccccc2)=O)c2ccccc12

InChI

InChI=1S/C31H33N5O2/c1-38-29-14-8-7-13-28(29)34-17-19-35(20-18-34)30-26-12-6-5-11-25(26)27(23-32-30)31(37)36-21-15-33(16-22-36)24-9-3-2-4-10-24/h2-14,23H,15-22H2,1H3

InChI Key

CATDEEABPNSAEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.223

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.27

Polar Surface Area

42.988

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

3909-9974 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 3909-9974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-9974?
Check Price and Availability of 3909-9974, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3909-9974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-9974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-9974
  • 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 3909-9974 available by request