D633-0167 Screening compound: 2-[4-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,2,3,4-tetrahydroisoquinoline

D633-0167 Screening compound: 2-[4-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,2,3,4-tetrahydroisoquinoline
D633-0167 Screening compound: 2-[4-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D633-0167
2-[4-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-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

D633-0167

Molecular Formula

C17H15N5O (C17 H15 N5 O)

Compound Name

2-[4-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[4-(1H-1234-tetrazol-1-yl)benzoyl]-1234-tetrahydroisoquinoline

SMILES

O=C(c(cc1)ccc1-n1nnnc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C17H15N5O/c23-17(21-10-9-13-3-1-2-4-15(13)11-21)14-5-7-16(8-6-14)22-12-18-19-20-22/h1-8,12H,9-11H2

InChI Key

CESQSFBBZWGTRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12207790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-2.56

Polar Surface Area

56.314

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D633-0167 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D633-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D633-0167?
Check Price and Availability of D633-0167, 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 D633-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D633-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D633-0167
  • 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 D633-0167 available by request