C138-0788 Screening compound: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)isoquinolin-1-amine

C138-0788 Screening compound: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)isoquinolin-1-amine
C138-0788 Screening compound: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)isoquinolin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0788
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)isoquinolin-1-amine

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

C138-0788

Molecular Formula

C27H25FN4O2 (C27 H25 FN4 O2)

Compound Name

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)isoquinolin-1-amine

IUPAC name

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)isoquinolin-1-amine

SMILES

COc(cccc1)c1Nc1ncc(C(N(CC2)CCN2c(cc2)ccc2F)=O)c2ccccc12

InChI

InChI=1S/C27H25FN4O2/c1-34-25-9-5-4-8-24(25)30-26-22-7-3-2-6-21(22)23(18-29-26)27(33)32-16-14-31(15-17-32)20-12-10-19(28)11-13-20/h2-13,18H,14-17H2,1H3,(H,29,30)

InChI Key

AUBWLLPRCUPMNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.553

Water Solubility, LogSw

-4.67

Polar Surface Area

45.498

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C138-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0788?
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What is the minimum amount of C138-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0788
  • 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 C138-0788 available by request