D023-0042 Screening compound: methyl 4-({5-[1-(3-chlorobenzenesulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate

D023-0042 Screening compound: methyl 4-({5-[1-(3-chlorobenzenesulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
D023-0042 Screening compound: methyl 4-({5-[1-(3-chlorobenzenesulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0042
methyl 4-({5-[1-(3-chlorobenzenesulfonyl)piperidin-3-yl]-7-hydroxy-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

D023-0042

Molecular Formula

C24H23ClN6O5S (C24 H23 ClN6 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(Cn(c2nc(C(CCC3)CN3S(c3cccc(Cl)c3)(=O)=O)n3)nnc2c3O)cc1)=O

InChI

InChI=1S/C24H23ClN6O5S/c1-36-24(33)16-9-7-15(8-10-16)13-31-22-20(28-29-31)23(32)27-21(26-22)17-4-3-11-30(14-17)37(34,35)19-6-2-5-18(25)12-19/h2,5-10,12,17H,3-4,11,13-14H2,1H3,(H,26,27,32)/t17-/m0/s1

InChI Key

VCHWHWUAELGUDH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14810993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543

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

3.245

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-3.56

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

29.20

D023-0042 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 D023-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0042?
Check Price and Availability of D023-0042, 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 D023-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0042
  • 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 D023-0042 available by request