D295-0187 Screening compound: 2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

D295-0187 Screening compound: 2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
D295-0187 Screening compound: 2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D295-0187
2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

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

D295-0187

Molecular Formula

C18H15ClFN7O3S (C18 H15 ClFN7 O3 S)

Compound Name

2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

IUPAC name

2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[123]triazolo[45-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-12-oxazol-3-yl)acetamide

SMILES

Cc1cc(NC(CSCc2nc(O)c3nnn(Cc(c(F)ccc4)c4Cl)c3n2)=O)no1

InChI

InChI=1S/C18H15ClFN7O3S/c1-9-5-13(25-30-9)21-15(28)8-31-7-14-22-17-16(18(29)23-14)24-26-27(17)6-10-11(19)3-2-4-12(10)20/h2-5H,6-8H2,1H3,(H,21,25,28)(H,22,23,29)

InChI Key

FSJSGADYUCDNJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.88

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

1.418

Water Solubility, LogSw

-3.29

Polar Surface Area

108.489

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D295-0187 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D295-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D295-0187?
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What is the minimum amount of D295-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D295-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D295-0187
  • 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 D295-0187 available by request