2332-0409 Screening compound: [3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,5-dimethoxyphenyl)methanone

2332-0409 Screening compound: [3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,5-dimethoxyphenyl)methanone
2332-0409 Screening compound: [3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,5-dimethoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0409
[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,5-dimethoxyphenyl)methanone

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

2332-0409

Molecular Formula

C25H22Cl2N4O4 (C25 H22 Cl2 N4 O4)

Compound Name

[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,5-dimethoxyphenyl)methanone

IUPAC name

3-(35-dichloro-246-trimethylphenyl)-7-(35-dimethoxybenzoyl)-5-oxa-2467-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(12)3810-tetraene

SMILES

Cc(c(C1=NON2N1c(cccc1)c1N2C(c1cc(OC)cc(OC)c1)=O)c(C)c(Cl)c1C)c1Cl

InChI

InChI=1S/C25H22Cl2N4O4/c1-13-21(14(2)23(27)15(3)22(13)26)24-28-35-31-29(24)19-8-6-7-9-20(19)30(31)25(32)16-10-17(33-4)12-18(11-16)34-5/h6-12H,1-5H3

InChI Key

LAAAKRPJISDSQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.084

Distribution Coefficient, logD

6.084

Water Solubility, LogSw

-6.36

Polar Surface Area

64.163

Acid Dissociation Constant (pKa)

27.16

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2332-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0409?
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What is the minimum amount of 2332-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0409
  • 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 2332-0409 available by request