8010-0286 Screening compound: 2-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(4-nitrophenyl)-1,3-thiazole

8010-0286 Screening compound: 2-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(4-nitrophenyl)-1,3-thiazole
8010-0286 Screening compound: 2-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(4-nitrophenyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0286
2-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(4-nitrophenyl)-1,3-thiazole

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

8010-0286

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

2-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(4-nitrophenyl)-1,3-thiazole

IUPAC name

2-[4-(4-nitrophenyl)-13-thiazol-2-yl]-1234-tetrahydroisoquinoline

SMILES

[O-][N+](c(cc1)ccc1-c1csc(N(CC2)Cc3c2cccc3)n1)=O

InChI

InChI=1S/C18H15N3O2S/c22-21(23)16-7-5-14(6-8-16)17-12-24-18(19-17)20-10-9-13-3-1-2-4-15(13)11-20/h1-8,12H,9-11H2

InChI Key

OEDLAFZNROBKDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01926169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.356

Distribution Coefficient, logD

5.356

Water Solubility, LogSw

-5.80

Polar Surface Area

46.283

Acid Dissociation Constant (pKa)

19.81

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8010-0286 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0286?
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What is the minimum amount of 8010-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0286
  • 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 8010-0286 available by request