2332-0456 Screening compound: phenyl[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl]methanone

2332-0456 Screening compound: phenyl[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl]methanone
2332-0456 Screening compound: phenyl[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0456
phenyl[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl]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

2332-0456

Molecular Formula

C24H22N4O2 (C24 H22 N4 O2)

Compound Name

phenyl[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl]methanone

IUPAC name

7-benzoyl-3-(2356-tetramethylphenyl)-5-oxa-2467-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)3911-tetraene

SMILES

Cc1c(C)c(C2=NON3N2c(cccc2)c2N3C(c2ccccc2)=O)c(C)c(C)c1

InChI

InChI=1S/C24H22N4O2/c1-15-14-16(2)18(4)22(17(15)3)23-25-30-28-26(23)20-12-8-9-13-21(20)27(28)24(29)19-10-6-5-7-11-19/h5-14H,1-4H3

InChI Key

XDQORVXRPYKAGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

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

5.271

Distribution Coefficient, logD

5.271

Water Solubility, LogSw

-5.35

Polar Surface Area

49.075

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2332-0456 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2332-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0456?
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What is the minimum amount of 2332-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0456
  • 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 2332-0456 available by request