D530-0314 Screening compound: 2-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

D530-0314 Screening compound: 2-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
D530-0314 Screening compound: 2-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D530-0314
2-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

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

D530-0314

Molecular Formula

C28H26N6O (C28 H26 N6 O)

Compound Name

2-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-[7-(4-methylphenyl)-5-phenyl-4H7H-[1234]tetrazolo[15-a]pyrimidin-4-yl]-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

Cc1ccc(C2n3nnnc3N(CC(N(CC3)Cc4c3cccc4)=O)C(c3ccccc3)=C2)cc1

InChI

InChI=1S/C28H26N6O/c1-20-11-13-23(14-12-20)26-17-25(22-8-3-2-4-9-22)33(28-29-30-31-34(26)28)19-27(35)32-16-15-21-7-5-6-10-24(21)18-32/h2-14,17,26H,15-16,18-19H2,1H3/t26-/m1/s1

InChI Key

VTHJGJYJMJSVSQ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27591499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.847

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-4.52

Polar Surface Area

56.651

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D530-0314 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D530-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D530-0314?
Check Price and Availability of D530-0314, 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 D530-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D530-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D530-0314
  • 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 D530-0314 available by request