2044-1647 Screening compound: [3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,4,5-trimethoxyphenyl)methanone

2044-1647 Screening compound: [3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,4,5-trimethoxyphenyl)methanone
2044-1647 Screening compound: [3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,4,5-trimethoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-1647
[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,4,5-trimethoxyphenyl)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

2044-1647

Molecular Formula

C27H28N4O5 (C27 H28 N4 O5)

Compound Name

[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl](3,4,5-trimethoxyphenyl)methanone

IUPAC name

3-(2356-tetramethylphenyl)-7-(345-trimethoxybenzoyl)-5-oxa-2467-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)3911-tetraene

SMILES

Cc1c(C)c(C2=NON3N2c(cccc2)c2N3C(c(cc2OC)cc(OC)c2OC)=O)c(C)c(C)c1

InChI

InChI=1S/C27H28N4O5/c1-15-12-16(2)18(4)24(17(15)3)26-28-36-31-29(26)20-10-8-9-11-21(20)30(31)27(32)19-13-22(33-5)25(35-7)23(14-19)34-6/h8-14H,1-7H3

InChI Key

BDODRGGSOMKQJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-4.99

Polar Surface Area

72.053

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 2044-1647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-1647?
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What is the minimum amount of 2044-1647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-1647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-1647
  • 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 2044-1647 available by request