C201-1397 Screening compound: 2-{[4-(morpholin-4-yl)phthalazin-1-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

C201-1397 Screening compound: 2-{[4-(morpholin-4-yl)phthalazin-1-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
C201-1397 Screening compound: 2-{[4-(morpholin-4-yl)phthalazin-1-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1397
2-{[4-(morpholin-4-yl)phthalazin-1-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-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

C201-1397

Molecular Formula

C23H24N4O2S (C23 H24 N4 O2 S)

Compound Name

2-{[4-(morpholin-4-yl)phthalazin-1-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-{[4-(morpholin-4-yl)phthalazin-1-yl]sulfanyl}-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

O=C(CSc(c1ccccc11)nnc1N1CCOCC1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H24N4O2S/c28-21(27-10-9-17-5-1-2-6-18(17)15-27)16-30-23-20-8-4-3-7-19(20)22(24-25-23)26-11-13-29-14-12-26/h1-8H,9-16H2

InChI Key

OFXZRVLLKMNSQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.617

Water Solubility, LogSw

-3.64

Polar Surface Area

48.918

Acid Dissociation Constant (pKa)

19.53

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C201-1397 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1397?
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What is the minimum amount of C201-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1397
  • 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 C201-1397 available by request