V005-4346 Screening compound: 2-{2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl}-1,2,3,4-tetrahydroisoquinoline

V005-4346 Screening compound: 2-{2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl}-1,2,3,4-tetrahydroisoquinoline
V005-4346 Screening compound: 2-{2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4346
2-{2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl}-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

V005-4346

Molecular Formula

C28H28BrN3O2 (C28 H28 BrN3 O2)

Compound Name

2-{2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl}-1234-tetrahydroisoquinoline

SMILES

Cc1ccc(C(N(CC2)Cc3c2cccc3)=O)c(C(CC2)CCN2C(c2cccc(Br)c2)=O)n1

InChI

InChI=1S/C28H28BrN3O2/c1-19-9-10-25(28(34)32-16-11-20-5-2-3-6-23(20)18-32)26(30-19)21-12-14-31(15-13-21)27(33)22-7-4-8-24(29)17-22/h2-10,17,21H,11-16,18H2,1H3

InChI Key

OSPGAKNBAAGIIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929027

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.337

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.39

Polar Surface Area

42.118

Acid Dissociation Constant (pKa)

24.50

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V005-4346 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V005-4346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4346?
Check Price and Availability of V005-4346, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V005-4346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4346
  • 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 V005-4346 available by request