D122-0039 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D122-0039 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D122-0039 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0039
3-[(3,4-dimethoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

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

D122-0039

Molecular Formula

C26H28N6O4 (C26 H28 N6 O4)

Compound Name

3-[(3,4-dimethoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

IUPAC name

3-[(34-dimethoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Cc(cc1)ccc1C(N(CC1)CCC1c1nc(O)c2nnn(Cc(cc3)cc(OC)c3OC)c2n1)=O

InChI

InChI=1S/C26H28N6O4/c1-16-4-7-19(8-5-16)26(34)31-12-10-18(11-13-31)23-27-24-22(25(33)28-23)29-30-32(24)15-17-6-9-20(35-2)21(14-17)36-3/h4-9,14,18H,10-13,15H2,1-3H3,(H,27,28,33)

InChI Key

ZYDUOVCVXXKDFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

1.911

Water Solubility, LogSw

-2.55

Polar Surface Area

94.463

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

D122-0039 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D122-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0039?
Check Price and Availability of D122-0039, 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 D122-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0039
  • 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 D122-0039 available by request