F814-1652 Screening compound: methyl 4-(2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

F814-1652 Screening compound: methyl 4-(2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
F814-1652 Screening compound: methyl 4-(2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F814-1652
methyl 4-(2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

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

F814-1652

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

methyl 4-(2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 4-(2-{[6-(1234-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CSc(cc1)nnc1N(CC1)Cc2c1cccc2)=O)=O

InChI

InChI=1S/C23H22N4O3S/c1-30-23(29)17-6-8-19(9-7-17)24-21(28)15-31-22-11-10-20(25-26-22)27-13-12-16-4-2-3-5-18(16)14-27/h2-11H,12-15H2,1H3,(H,24,28)

InChI Key

YQAZCDMVVXDMRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.11

Polar Surface Area

67.972

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F814-1652 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F814-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F814-1652?
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What is the minimum amount of F814-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F814-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F814-1652
  • 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 F814-1652 available by request