D122-0023 Screening compound: methyl 4-({7-hydroxy-5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate

D122-0023 Screening compound: methyl 4-({7-hydroxy-5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
D122-0023 Screening compound: methyl 4-({7-hydroxy-5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0023
methyl 4-({7-hydroxy-5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate

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

D122-0023

Molecular Formula

C25H26N6O5S (C25 H26 N6 O5 S)

Compound Name

methyl 4-({7-hydroxy-5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate

IUPAC name

methyl 4-({7-hydroxy-5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-3H-[123]triazolo[45-d]pyrimidin-3-yl}methyl)benzoate

SMILES

Cc(cc1)ccc1S(N(CCC1)CC1c1nc(O)c2nnn(Cc(cc3)ccc3C(OC)=O)c2n1)(=O)=O

InChI

InChI=1S/C25H26N6O5S/c1-16-5-11-20(12-6-16)37(34,35)30-13-3-4-19(15-30)22-26-23-21(24(32)27-22)28-29-31(23)14-17-7-9-18(10-8-17)25(33)36-2/h5-12,19H,3-4,13-15H2,1-2H3,(H,26,27,32)/t19-/m0/s1

InChI Key

PBEZDRRUBRWTGT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14812140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

2.620

Water Solubility, LogSw

-3.15

Polar Surface Area

115.372

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

D122-0023 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
  • 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 D122-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0023?
Check Price and Availability of D122-0023, 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 D122-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0023
  • 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 D122-0023 available by request