2652-0625 Screening compound: 1-(3-mesityl-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl)-1-propanone

2652-0625 Screening compound: 1-(3-mesityl-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl)-1-propanone
2652-0625 Screening compound: 1-(3-mesityl-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 2652-0625
1-(3-mesityl-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl)-1-propanone

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

2652-0625

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

1-(3-mesityl-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl)-1-propanone

IUPAC name

1-[3-(246-trimethylphenyl)-5-oxa-2467-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)3911-tetraen-7-yl]propan-1-one

SMILES

CCC(N1N2ON=C(c3c(C)cc(C)cc3C)N2c2c1cccc2)=O

InChI

InChI=1S/C19H20N4O2/c1-5-17(24)21-15-8-6-7-9-16(15)22-19(20-25-23(21)22)18-13(3)10-12(2)11-14(18)4/h6-11H,5H2,1-4H3

InChI Key

XVICBCWDCCZYQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00843999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

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

3.828

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.06

Polar Surface Area

48.819

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

2652-0625 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antibacterial Compounds Library (13827 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2652-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2652-0625?
Check Price and Availability of 2652-0625, 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 2652-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2652-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2652-0625
  • 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 2652-0625 available by request