2332-0411 Screening compound: (4-butoxyphenyl)[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl]methanone

2332-0411 Screening compound: (4-butoxyphenyl)[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl]methanone
2332-0411 Screening compound: (4-butoxyphenyl)[3-(3,5-dichloro-2,4,6-trimethylphenyl)-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 2332-0411
(4-butoxyphenyl)[3-(3,5-dichloro-2,4,6-trimethylphenyl)-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

2332-0411

Molecular Formula

C27H26Cl2N4O3 (C27 H26 Cl2 N4 O3)

Compound Name

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

IUPAC name

7-(4-butoxybenzoyl)-3-(35-dichloro-246-trimethylphenyl)-5-oxa-2467-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(12)3810-tetraene

SMILES

CCCCOc(cc1)ccc1C(N1N2ON=C(c3c(C)c(Cl)c(C)c(Cl)c3C)N2c2c1cccc2)=O

InChI

InChI=1S/C27H26Cl2N4O3/c1-5-6-15-35-20-13-11-19(12-14-20)27(34)32-22-10-8-7-9-21(22)31-26(30-36-33(31)32)23-16(2)24(28)18(4)25(29)17(23)3/h7-14H,5-6,15H2,1-4H3

InChI Key

UOOSZDCHMWOGCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.316

Distribution Coefficient, logD

7.316

Water Solubility, LogSw

-6.52

Polar Surface Area

56.493

Acid Dissociation Constant (pKa)

27.16

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 2332-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0411
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0411
  • 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 2332-0411 available by request