1763-0468 Screening compound: 2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline

1763-0468 Screening compound: 2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline
1763-0468 Screening compound: 2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1763-0468
2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline

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

1763-0468

Molecular Formula

C17H16N2O3 (C17 H16 N2 O3)

Compound Name

2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(4-methyl-3-nitrobenzoyl)-1234-tetrahydroisoquinoline

SMILES

Cc(ccc(C(N(CC1)Cc2c1cccc2)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H16N2O3/c1-12-6-7-14(10-16(12)19(21)22)17(20)18-9-8-13-4-2-3-5-15(13)11-18/h2-7,10H,8-9,11H2,1H3

InChI Key

KNKJBNAMDFEVAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00783990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.235

Water Solubility, LogSw

-3.48

Polar Surface Area

49.629

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1763-0468 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1763-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1763-0468?
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What is the minimum amount of 1763-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1763-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1763-0468
  • 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 1763-0468 available by request