E002-0433 Screening compound: 2-(6-chloro-1H-indazol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

E002-0433 Screening compound: 2-(6-chloro-1H-indazol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
E002-0433 Screening compound: 2-(6-chloro-1H-indazol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0433
2-(6-chloro-1H-indazol-1-yl)-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

E002-0433

Molecular Formula

C18H16ClN3O (C18 H16 ClN3 O)

Compound Name

2-(6-chloro-1H-indazol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-(6-chloro-1H-indazol-1-yl)-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

O=C(Cn1ncc(cc2)c1cc2Cl)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C18H16ClN3O/c19-16-6-5-14-10-20-22(17(14)9-16)12-18(23)21-8-7-13-3-1-2-4-15(13)11-21/h1-6,9-10H,7-8,11-12H2

InChI Key

DGUKIEUMZMKTTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-3.60

Polar Surface Area

29.725

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E002-0433 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E002-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0433?
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What is the minimum amount of E002-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0433
  • 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 E002-0433 available by request