4034-0016 Screening compound: 7-(4-chlorophenyl)-5-phenyl-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine

4034-0016 Screening compound: 7-(4-chlorophenyl)-5-phenyl-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine
4034-0016 Screening compound: 7-(4-chlorophenyl)-5-phenyl-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4034-0016
7-(4-chlorophenyl)-5-phenyl-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine

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

4034-0016

Molecular Formula

C16H14ClN5 (C16 H14 ClN5)

Compound Name

7-(4-chlorophenyl)-5-phenyl-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine

IUPAC name

(5S7R)-7-(4-chlorophenyl)-5-phenyl-4H5H6H7H-[1234]tetrazolo[15-a]pyrimidine

SMILES

Clc1ccc([C@H](C2)n3nnnc3N[C@H]2c2ccccc2)cc1

InChI

InChI=1S/C16H14ClN5/c17-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)18-16-19-20-21-22(15)16/h1-9,14-15H,10H2,(H,18,19,21)/t14-,15-/m0/s1

InChI Key

BPSAFOAGAPTQHS-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.40

Polar Surface Area

53.546

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.80

4034-0016 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 4034-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4034-0016?
Check Price and Availability of 4034-0016, 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 4034-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4034-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4034-0016
  • 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 4034-0016 available by request