D023-0041 Screening compound: 5-[1-(benzenesulfonyl)piperidin-3-yl]-3-[(2-bromophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D023-0041 Screening compound: 5-[1-(benzenesulfonyl)piperidin-3-yl]-3-[(2-bromophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D023-0041 Screening compound: 5-[1-(benzenesulfonyl)piperidin-3-yl]-3-[(2-bromophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0041
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-[(2-bromophenyl)methyl]-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

D023-0041

Molecular Formula

C22H21BrN6O3S (C22 H21 BrN6 O3 S)

Compound Name

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

IUPAC name

5-[1-(benzenesulfonyl)piperidin-3-yl]-3-[(2-bromophenyl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Oc1c2nnn(Cc(cccc3)c3Br)c2nc(C(CCC2)CN2S(c2ccccc2)(=O)=O)n1

InChI

InChI=1S/C22H21BrN6O3S/c23-18-11-5-4-7-15(18)14-29-21-19(26-27-29)22(30)25-20(24-21)16-8-6-12-28(13-16)33(31,32)17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14H2,(H,24,25,30)/t16-/m0/s1

InChI Key

HOBHLDAHLNSSSR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14810992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.16

Polar Surface Area

94.198

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D023-0041 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Human Kinases Annotated Library (2415 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 D023-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0041?
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What is the minimum amount of D023-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0041
  • 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 D023-0041 available by request