D203-0072 Screening compound: 2-[(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]benzonitrile

D203-0072 Screening compound: 2-[(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]benzonitrile
D203-0072 Screening compound: 2-[(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D203-0072
2-[(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]benzonitrile

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

D203-0072

Molecular Formula

C23H20ClN7O3S (C23 H20 ClN7 O3 S)

Compound Name

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

IUPAC name

2-[(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[123]triazolo[45-d]pyrimidin-5-yl}piperidin-1-yl)sulfonyl]benzonitrile

SMILES

N#Cc(cccc1)c1S(N(CC1)CCC1c1nc(O)c2nnn(Cc3cccc(Cl)c3)c2n1)(=O)=O

InChI

InChI=1S/C23H20ClN7O3S/c24-18-6-3-4-15(12-18)14-31-22-20(28-29-31)23(32)27-21(26-22)16-8-10-30(11-9-16)35(33,34)19-7-2-1-5-17(19)13-25/h1-7,12,16H,8-11,14H2,(H,26,27,32)

InChI Key

QEGYGMIXNHBIAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.98

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

2.570

Water Solubility, LogSw

-3.56

Polar Surface Area

111.321

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D203-0072 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)

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 D203-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0072?
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What is the minimum amount of D203-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0072
  • 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 D203-0072 available by request