2332-0457 Screening compound: 9-(biphenyl-4-ylcarbonyl)-3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazole

2332-0457 Screening compound: 9-(biphenyl-4-ylcarbonyl)-3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazole
2332-0457 Screening compound: 9-(biphenyl-4-ylcarbonyl)-3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0457
9-(biphenyl-4-ylcarbonyl)-3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazole

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

2332-0457

Molecular Formula

C30H26N4O2 (C30 H26 N4 O2)

Compound Name

9-(biphenyl-4-ylcarbonyl)-3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazole

IUPAC name

7-{[11'-biphenyl]-4-carbonyl}-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(c(cc2)ccc2-c2ccccc2)=O)c(C)c(C)c1

InChI

InChI=1S/C30H26N4O2/c1-19-18-20(2)22(4)28(21(19)3)29-31-36-34-32(29)26-12-8-9-13-27(26)33(34)30(35)25-16-14-24(15-17-25)23-10-6-5-7-11-23/h5-18H,1-4H3

InChI Key

HCANSDBIFMTDFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.095

Distribution Coefficient, logD

7.095

Water Solubility, LogSw

-5.82

Polar Surface Area

48.803

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 2332-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0457?
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What is the minimum amount of 2332-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0457
  • 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 2332-0457 available by request