6069-0511 Screening compound: 9-(3-bromophenyl)-2-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

6069-0511 Screening compound: 9-(3-bromophenyl)-2-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
6069-0511 Screening compound: 9-(3-bromophenyl)-2-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6069-0511
9-(3-bromophenyl)-2-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-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

6069-0511

Molecular Formula

C21H17BrN4O (C21 H17 BrN4 O)

Compound Name

9-(3-bromophenyl)-2-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(3-bromophenyl)-2-phenyl-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

O=C(CCC1)C2=C1Nc1nc(-c3ccccc3)nn1C2c1cccc(Br)c1

InChI

InChI=1S/C21H17BrN4O/c22-15-9-4-8-14(12-15)19-18-16(10-5-11-17(18)27)23-21-24-20(25-26(19)21)13-6-2-1-3-7-13/h1-4,6-9,12,19H,5,10-11H2,(H,23,24,25)/t19-/m0/s1

InChI Key

XPCWGLJGWYETHV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02971637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-4.97

Polar Surface Area

50.345

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

6069-0511 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6069-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6069-0511?
Check Price and Availability of 6069-0511, 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 6069-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6069-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6069-0511
  • 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 6069-0511 available by request