5055-6872 Screening compound: 1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-(3,4-dimethylphenyl)phthalazine

5055-6872 Screening compound: 1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-(3,4-dimethylphenyl)phthalazine
5055-6872 Screening compound: 1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-(3,4-dimethylphenyl)phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-6872
1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-(3,4-dimethylphenyl)phthalazine

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

5055-6872

Molecular Formula

C24H21N5 (C24 H21 N5)

Compound Name

1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-(3,4-dimethylphenyl)phthalazine

IUPAC name

1-(56-dimethyl-1H-123-benzotriazol-1-yl)-4-(34-dimethylphenyl)phthalazine

SMILES

Cc(cc1)c(C)cc1-c(c1ccccc11)nnc1-n1nnc2c1cc(C)c(C)c2

InChI

InChI=1S/C24H21N5/c1-14-9-10-18(11-15(14)2)23-19-7-5-6-8-20(19)24(27-26-23)29-22-13-17(4)16(3)12-21(22)25-28-29/h5-13H,1-4H3

InChI Key

HXURHVMQBLOBBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.124

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-6.00

Polar Surface Area

47.704

Acid Dissociation Constant (pKa)

24.95

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5055-6872 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5055-6872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-6872?
Check Price and Availability of 5055-6872, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5055-6872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-6872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-6872
  • 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 5055-6872 available by request