0934-1230 Screening compound: 9-(biphenyl-4-ylcarbonyl)-3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazole

0934-1230 Screening compound: 9-(biphenyl-4-ylcarbonyl)-3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazole
0934-1230 Screening compound: 9-(biphenyl-4-ylcarbonyl)-3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0934-1230
9-(biphenyl-4-ylcarbonyl)-3-(3,5-dichloro-2,4,6-trimethylphenyl)-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

0934-1230

Molecular Formula

C29H22Cl2N4O2 (C29 H22 Cl2 N4 O2)

Compound Name

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

IUPAC name

7-{[11'-biphenyl]-4-carbonyl}-3-(35-dichloro-246-trimethylphenyl)-5-oxa-2467-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(12)3810-tetraene

SMILES

Cc(c(C1=NON2N1c(cccc1)c1N2C(c(cc1)ccc1-c1ccccc1)=O)c(C)c(Cl)c1C)c1Cl

InChI

InChI=1S/C29H22Cl2N4O2/c1-17-25(18(2)27(31)19(3)26(17)30)28-32-37-35-33(28)23-11-7-8-12-24(23)34(35)29(36)22-15-13-21(14-16-22)20-9-5-4-6-10-20/h4-16H,1-3H3

InChI Key

IQXFDJHKZLZAAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.42

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

7.603

Distribution Coefficient, logD

7.603

Water Solubility, LogSw

-6.63

Polar Surface Area

48.803

Acid Dissociation Constant (pKa)

27.16

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with 0934-1230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0934-1230?
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What is the minimum amount of 0934-1230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0934-1230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0934-1230
  • 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 0934-1230 available by request